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C(38)-Isonor-astacene

View entire compound with spectra: 1 MS (GC)

C(38)-Isonor-astacene
SpectraBase Compound ID DYsUgdUHxmg
InChI InChI=1S/C38H44O4/c1-27(15-10-16-29(3)19-12-20-31-23-33(39)35(41)37(5,6)25-31)13-9-14-28(2)17-11-18-30(4)21-22-32-24-34(40)36(42)38(7,8)26-32/h9-24H,25-26H2,1-8H3/b13-9+,16-10+,17-11+,20-12+,22-21+,27-15+,28-14+,29-19+,30-18+
InChIKey HLEDJZLIMYPQOL-HBDJXIISSA-N
Mol Weight 564.8 g/mol
Molecular Formula C38H44O4
Exact Mass 564.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgdsGTzcraF
Name C(38)-Isonor-astacene
Alternate Name(s) 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(5,5-dimethyl-3,4-dioxo-1-cyclohexen-1-yl)-3,7,11,15-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaenyl]-6,6-dimethyl-3-cyclohexene-1,2-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H44O4
InChI InChI=1S/C38H44O4/c1-27(15-10-16-29(3)19-12-20-31-23-33(39)35(41)37(5,6)25-31)13-9-14-28(2)17-11-18-30(4)21-22-32-24-34(40)36(42)38(7,8)26-32/h9-24H,25-26H2,1-8H3/b13-9+,16-10+,17-11+,20-12+,22-21+,27-15+,28-14+,29-19+,30-18+
InChIKey HLEDJZLIMYPQOL-HBDJXIISSA-N
Molecular Weight 564.766 g/mol
SMILES C1(C(C(C)(C)CC(=C1)\C=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C1=CC(=O)C(C(C1)(C)C)=O)C)C)C)C)=O)=O
SPLASH splash10-0006-9100000000-5e1ba229277f3d031e97
Source of Spectrum U-1997-1893-6
Wiley ID 770019