For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Cyclobutanecarboxylic acid, 3-(5-ethoxy-3-methyl-5-oxo-1,3-pentadienyl)-2-[2-(4-methoxy-2,3,6-trimethylphenyl)ethenyl]-4-[6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,3,5-hexatrienyl]-2,4-dimethyl-, ethyl ester, [1.alpha.,2.alpha.(E),3.beta.(1E,3E),4.beta.(1E,3E,5E)]-(.+-.)-

View entire compound with spectra: 2 MS (GC)

Cyclobutanecarboxylic acid, 3-(5-ethoxy-3-methyl-5-oxo-1,3-pentadienyl)-2-[2-(4-methoxy-2,3,6-trimethylphenyl)ethenyl]-4-[6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,3,5-hexatrienyl]-2,4-dimethyl-, ethyl ester, [1.alpha.,2.alpha.(E),3.beta.(1E,3E),4.beta.(1E,3E,5E)]-(.+-.)-
SpectraBase Compound ID FkXDhqpaCvY
InChI InChI=1S/C46H60O6/c1-15-51-43(47)41-45(11,25-17-19-29(3)21-23-37-31(5)27-39(49-13)35(9)33(37)7)42(44(48)52-16-2)46(41,12)26-18-20-30(4)22-24-38-32(6)28-40(50-14)36(10)34(38)8/h17-28,41-42H,15-16H2,1-14H3/b23-21+,24-22+,25-17+,26-18+,29-19+,30-20+/t41-,42-,45-,46-
InChIKey AODUCQMGJBVVHJ-BVGVMISVSA-N
Mol Weight 709.0 g/mol
Molecular Formula C46H60O6
Exact Mass 708.43899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5H8Sj7UDA1H
Name Cyclobutanecarboxylic acid, 3-(5-ethoxy-3-methyl-5-oxo-1,3-pentadienyl)-2-[2-(4-methoxy-2,3,6-trimethylphenyl)ethenyl]-4-[6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,3,5-hexatrienyl]-2,4-dimethyl-, ethyl ester, [1.alpha.,2.alpha.(E),3.beta.(1E,3E),4.beta.(1E,3E,5E)]-(.+-.)-
Alternate Name(s) Diethyl 2,4-bis[(1E,3E,5E)-6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,3,5-hexatrienyl]-2,4-dimethyl-1,3-cyclobutanedicarboxylate Diethyl-2.beta.,4.alpha.-bis[(all-E)-6-(4-methoxy-2,3,6-trimethyl)-4-methyl-1,3,5-hexatrienyl]-2,4-dimethyl-1.alpha.,3.beta.-cyclobutane dicarboxylate Ethyl 5-[3.alpha.-(ethoxycarbonyl)]-2.alpha.-[(E)-4-methoxy-1,2,6-trimethylstyryl]-4.beta.-[(all-E)-6-(4-methoxy-2,3,6-trimethylphenyl)-4-methyl-1,3,5-hexatrienyl]-2,4-dimethyl-1.beta.-cyclobutyl]-3-methyl-2,4-pentadienoate
CAS Registry Number 113432-38-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H60O6
InChI InChI=1S/C46H60O6/c1-15-51-43(47)41-45(11,25-17-19-29(3)21-23-37-31(5)27-39(49-13)35(9)33(37)7)42(44(48)52-16-2)46(41,12)26-18-20-30(4)22-24-38-32(6)28-40(50-14)36(10)34(38)8/h17-28,41-42H,15-16H2,1-14H3/b23-21+,24-22+,25-17+,26-18+,29-19+,30-20+/t41-,42-,45-,46-
InChIKey AODUCQMGJBVVHJ-BVGVMISVSA-N
Molecular Weight 708.980 g/mol
SMILES [C@]1([C@@](C(=O)OCC)([C@@]([C@@]1(C(=O)OCC)[H])(\C=C\C=C\(\C=C\c1c(c(C)c(cc1C)OC)C)C)C)[H])(\C=C\C=C\(\C=C\c1c(c(C)c(cc1C)OC)C)C)C
SPLASH splash10-0w29-0953000000-08108d0d663048e2f5d4
Source of Spectrum F-43-1332-2
Wiley ID 1415291