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.chi.,.chi.-Carotene, 20-[(2,3,4-trimethylphenyl)methylene]-
SpectraBase Compound ID JDywtDUcmwp
InChI InChI=1S/C50H58/c1-35(18-15-19-36(2)23-27-48-33-40(6)42(8)41(7)34-48)17-13-14-21-47(28-32-50-31-26-39(5)44(10)46(50)12)22-16-20-37(3)24-29-49-30-25-38(4)43(9)45(49)11/h13-34H,1-12H3/b14-13+,18-15+,22-16+,27-23+,29-24+,32-28+,35-17+,36-19+,37-20+,47-21-
InChIKey CIWHEIGESDAGEW-XAHAAOQISA-N
Mol Weight 659.0 g/mol
Molecular Formula C50H58
Exact Mass 658.453852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdJ10tgk56h
Name .chi.,.chi.-Carotene, 20-[(2,3,4-trimethylphenyl)methylene]-
Alternate Name(s) 1,2,3-trimethyl-4-{(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-3,12,16-trimethyl-18-(3,4,5-trimethylphenyl)-7-[(E)-2-(2,3,4-trimethylphenyl)ethenyl]-1,3,5,7,9,11,13,15,17-octadecanonaenyl}benzene 20-(2,3,4-Trimethylbenzal)-renierapurpurin
CAS Registry Number 64354-78-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H58
InChI InChI=1S/C50H58/c1-35(18-15-19-36(2)23-27-48-33-40(6)42(8)41(7)34-48)17-13-14-21-47(28-32-50-31-26-39(5)44(10)46(50)12)22-16-20-37(3)24-29-49-30-25-38(4)43(9)45(49)11/h13-34H,1-12H3/b14-13+,18-15+,22-16+,27-23+,29-24+,32-28+,35-17+,36-19+,37-20+,47-21-
InChIKey CIWHEIGESDAGEW-XAHAAOQISA-N
Molecular Weight 659.014 g/mol
SMILES c1(c(c(C)ccc1\C=C\C(=C\C=C\C(\C=C\c1c(c(C)c(cc1)C)C)=C\C=C\C=C\(\C=C\C=C\(\C=C\c1cc(C)c(c(c1)C)C)C)C)C)C)C
SPLASH splash10-053r-0900116000-0307c2565bf9b4dfdb1e
Source of Spectrum F-33-383-0
Wiley ID 1413513