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

*Links on SpectraBase are not permalinks.
2-Pentenedioic acid, 4-(7-methoxy-3,7-dimethyloctylidene)-3-methyl-, diethyl ester, (Z,E)-(.+-.)-
SpectraBase Compound ID CSnpKodqeta
InChI InChI=1S/C21H36O5/c1-8-25-19(22)15-17(4)18(20(23)26-9-2)13-12-16(3)11-10-14-21(5,6)24-7/h13,15-16H,8-12,14H2,1-7H3/b17-15-,18-13+
InChIKey BFZLEVZDMSLRRX-YUMPPQMDSA-N
Mol Weight 368.5 g/mol
Molecular Formula C21H36O5
Exact Mass 368.256274 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 ASrIq1JVAd9
Name 2-Pentenedioic acid, 4-(7-methoxy-3,7-dimethyloctylidene)-3-methyl-, diethyl ester, (Z,E)-(.+-.)-
Alternate Name(s) Diethyl (2Z,4E)-4-(7-methoxy-3,7-dimethyloctylidene)-3-methyl-2-pentenedioate Diethyl ester of (2Z,4E)-4-carboxy-11-methoxy-3,7,11-trimethyl-2,4-dodecadienoic acid
CAS Registry Number 53023-61-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O5
InChI InChI=1S/C21H36O5/c1-8-25-19(22)15-17(4)18(20(23)26-9-2)13-12-16(3)11-10-14-21(5,6)24-7/h13,15-16H,8-12,14H2,1-7H3/b17-15-,18-13+
InChIKey BFZLEVZDMSLRRX-YUMPPQMDSA-N
Molecular Weight 368.514 g/mol
SMILES C(\C=C/(\C(=C/CC(CCCC(OC)(C)C)C)C(=O)OCC)C)(=O)OCC
SPLASH splash10-00di-9110000000-c14cb635d5527f8f1864
Source of Spectrum J-40-4-0
Wiley ID 1353164