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

*Links on SpectraBase are not permalinks.

(2E,4E)-3-Methyl-5-{3-methyl-3-[(E)-2-(2,2,6-trimethyl-7-oxa-bicyclo[4.1.0]hept-1-yl)-vinyl]-oxiranyl}-penta-2,4-dienoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(2E,4E)-3-Methyl-5-{3-methyl-3-[(E)-2-(2,2,6-trimethyl-7-oxa-bicyclo[4.1.0]hept-1-yl)-vinyl]-oxiranyl}-penta-2,4-dienoic acid methyl ester
SpectraBase Compound ID 4F3cDCiDWxD
InChI InChI=1S/C21H30O4/c1-15(14-17(22)23-6)8-9-16-19(4,24-16)12-13-21-18(2,3)10-7-11-20(21,5)25-21/h8-9,12-14,16H,7,10-11H2,1-6H3/b9-8+,13-12+,15-14+
InChIKey CFAWVOOUNHDJHA-FINOOKRKSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 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 97qHivNzvwG
Name (2E,4E)-3-Methyl-5-{3-methyl-3-[(E)-2-(2,2,6-trimethyl-7-oxa-bicyclo[4.1.0]hept-1-yl)-vinyl]-oxiranyl}-penta-2,4-dienoic acid methyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-15(14-17(22)23-6)8-9-16-19(4,24-16)12-13-21-18(2,3)10-7-11-20(21,5)25-21/h8-9,12-14,16H,7,10-11H2,1-6H3/b9-8+,13-12+,15-14+
InChIKey CFAWVOOUNHDJHA-FINOOKRKSA-N
Molecular Weight 346.467 g/mol
SMILES C12(OC2(CCCC1(C)C)C)\C=C\C1(OC1\C=C\C(=C\C(=O)OC)C)C
SPLASH splash10-0a4i-0090000000-f66064ab9ab768ae7936
Source of Spectrum CRT-17-1718-7
Synonyms (9E)-3,7-Dimethyl-9-(2',6',6'-trimethylcyclohex-1'-en-1'-yl)2,4,6,8-nonateraenoic Acid-Methyl Ester (9E)-5,6,9,10-Diepoxy-retinoic Acid-Methyl Ester
Wiley ID 1710039