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

*Links on SpectraBase are not permalinks.
6-Heptenoic acid, 5-(acetyloxy)-2,6-dimethyl-, methyl ester
SpectraBase Compound ID Ir8yephwVjG
InChI InChI=1S/C12H20O4/c1-8(2)11(16-10(4)13)7-6-9(3)12(14)15-5/h9,11H,1,6-7H2,2-5H3/t9-,11?/m0/s1
InChIKey BUWJLHSAFQZNFH-FTNKSUMCSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 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 AJxVVICF56r
Name 6-Heptenoic acid, 5-(acetyloxy)-2,6-dimethyl-, methyl ester
Alternate Name(s) (+)-(6S) Methyl 3-acetoxy-2,6-dimethylhepten-7-oate Methyl (2S)-5-(acetyloxy)-2,6-dimethyl-6-heptenoate
CAS Registry Number 119614-73-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-8(2)11(16-10(4)13)7-6-9(3)12(14)15-5/h9,11H,1,6-7H2,2-5H3/t9-,11?/m0/s1
InChIKey BUWJLHSAFQZNFH-FTNKSUMCSA-N
Molecular Weight 228.288 g/mol
SMILES C(=O)([C@](CCC(OC(=O)C)C(=C)C)(C)[H])OC
SPLASH splash10-0ap3-7900000000-b1e9cd806e556d452f7a
Source of Spectrum F-44-478-5
Wiley ID 1229530