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

*Links on SpectraBase are not permalinks.
Methyl (7S, 7aS))-1-oxo-5-ethyl-(hexahydro)-isobenzofuran-7-carboxylate
SpectraBase Compound ID KY3C6FTqHiC
InChI InChI=1S/C12H16O4/c1-3-7-4-8-6-16-12(14)10(8)9(5-7)11(13)15-2/h5,8-10H,3-4,6H2,1-2H3/t8?,9-,10-/m0/s1
InChIKey UZONIFHYVWJWPK-AGROOBSYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 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 27D166TpgpR
Name Methyl (7S, 7aS))-1-oxo-5-ethyl-(hexahydro)-isobenzofuran-7-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-3-7-4-8-6-16-12(14)10(8)9(5-7)11(13)15-2/h5,8-10H,3-4,6H2,1-2H3/t8?,9-,10-/m0/s1
InChIKey UZONIFHYVWJWPK-AGROOBSYSA-N
Molecular Weight 224.256 g/mol
SMILES [C@@]1([C@]2(C(OCC2CC(=C1)CC)=O)[H])(C(=O)OC)[H]
SPLASH splash10-052f-0910000000-b467895cd0fbe7f246a9
Source of Spectrum U1-2003-4067-27
Wiley ID 1523860