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

*Links on SpectraBase are not permalinks.
1-Cyclohexene-1-carboxylic acid, 6-(acetyloxy)-5-methyl-3-oxo-, methyl ester, trans-
SpectraBase Compound ID AdFcCucPrgH
InChI InChI=1S/C11H14O5/c1-6-4-8(13)5-9(11(14)15-3)10(6)16-7(2)12/h5-6,10H,4H2,1-3H3/t6-,10+/m0/s1
InChIKey NNWSYTYCQJCBOT-QUBYGPBYSA-N
Mol Weight 226.23 g/mol
Molecular Formula C11H14O5
Exact Mass 226.084124 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 3YCyOjQbZrd
Name 1-Cyclohexene-1-carboxylic acid, 6-(acetyloxy)-5-methyl-3-oxo-, methyl ester, trans-
Alternate Name(s) Methyl (5S,6R)-6-(acetyloxy)-5-methyl-3-oxo-1-cyclohexene-1-carboxylate Methyl 1,cis-2-diacetoxy-trans-3-methyl-5-oxocyclohexanecarboxylate Methyl 1,trans-2-diacetoxy-trans-3-methyl-5-oxocyclohexanecarboxylate
CAS Registry Number 80448-46-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O5
InChI InChI=1S/C11H14O5/c1-6-4-8(13)5-9(11(14)15-3)10(6)16-7(2)12/h5-6,10H,4H2,1-3H3/t6-,10+/m0/s1
InChIKey NNWSYTYCQJCBOT-QUBYGPBYSA-N
Molecular Weight 226.228 g/mol
SMILES C=1([C@@]([C@@](C)(CC(C1)=O)[H])(OC(=O)C)[H])C(=O)OC
SPLASH splash10-0690-5900000000-39c242828f314f3ca9e4
Source of Spectrum C-104-1013-0
Wiley ID 1227032