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

*Links on SpectraBase are not permalinks.
7-Oxabicyclo[4.1.0]heptane-1-propanoic acid, 2,2,6-trimethyl-5-oxo-, methyl ester
SpectraBase Compound ID BKcaJI9MVSs
InChI InChI=1S/C13H20O4/c1-11(2)7-5-9(14)12(3)13(11,17-12)8-6-10(15)16-4/h5-8H2,1-4H3
InChIKey UPDULLNNKDLQJU-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 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 B36jB7W1Msy
Name 7-Oxabicyclo[4.1.0]heptane-1-propanoic acid, 2,2,6-trimethyl-5-oxo-, methyl ester
Alternate Name(s) 3-(2',2',6'-Trimethyl-5'-oxo-1',6'-epoxy-1'-cyclohexyl)propionic acid methyl ester Methyl 3-(2,2,6-trimethyl-5-oxo-7-oxabicyclo[4.1.0]hept-1-yl)propanoate
CAS Registry Number 70412-69-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-11(2)7-5-9(14)12(3)13(11,17-12)8-6-10(15)16-4/h5-8H2,1-4H3
InChIKey UPDULLNNKDLQJU-UHFFFAOYSA-N
Molecular Weight 240.299 g/mol
SMILES C12(C(C(=O)CCC2(C)C)(C)O1)CCC(=O)OC
SPLASH splash10-00r5-6900000000-448e3800f0c4c4c392ce
Source of Spectrum H-62-574-0
Wiley ID 1242837