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

*Links on SpectraBase are not permalinks.
1,5,11-Cyclotetradecatriene-1-carboxylic acid, 8-(1-hydroxy-1-methylethyl)-5,11-dimethyl-, methyl ester, [R-(E,Z,Z)]-
SpectraBase Compound ID BfAJtb6M6St
InChI InChI=1S/C21H34O3/c1-16-8-6-10-18(20(22)24-5)11-7-9-17(2)13-15-19(14-12-16)21(3,4)23/h8,11,13,19,23H,6-7,9-10,12,14-15H2,1-5H3/b16-8-,17-13-,18-11+/t19-/m1/s1
InChIKey KLVRLPOCQNPMCQ-MRMBYWFZSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 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 1hVVCMNHx4r
Name 1,5,11-Cyclotetradecatriene-1-carboxylic acid, 8-(1-hydroxy-1-methylethyl)-5,11-dimethyl-, methyl ester, [R-(E,Z,Z)]-
CAS Registry Number 105608-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-16-8-6-10-18(20(22)24-5)11-7-9-17(2)13-15-19(14-12-16)21(3,4)23/h8,11,13,19,23H,6-7,9-10,12,14-15H2,1-5H3/b16-8-,17-13-,18-11+/t19-/m1/s1
InChIKey KLVRLPOCQNPMCQ-MRMBYWFZSA-N
Molecular Weight 334.500 g/mol
SMILES OC([C@@]1(CC\C(=C/CC\C(C(=O)OC)=C/CC\C(=C/C1)C)C)[H])(C)C
SPLASH splash10-014i-0901000000-d137b08a7b40bc9218b7
Source of Spectrum B-39-1707-5
Synonyms 1-(1-Hydroxy-isopropyl)-4,12-dimethyl-8-methoxylcarbonyl-cyclotetradeca-4,8,12-triene Methyl (8R)-8-(1-hydroxy-1-methylethyl)-5,11-dimethyl-1,5,11-cyclotetradecatriene-1-carboxylate
Wiley ID 1331334