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

*Links on SpectraBase are not permalinks.
(2aRS,3RS,8aSR,8bRS)-Methyl 2a,3,4,6,7,8,8a,8b-octahydro-2-oxo-1-oxa-acenaphthene-3-carboxylate
SpectraBase Compound ID 8qAGGyxPZhB
InChI InChI=1S/C13H16O4/c1-16-12(14)8-6-5-7-3-2-4-9-10(7)11(8)13(15)17-9/h5,8-11H,2-4,6H2,1H3
InChIKey MWJQSNOCDXNXEL-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 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 FWtQ3MXlONm
Name (2aRS,3RS,8aSR,8bRS)-Methyl 2a,3,4,6,7,8,8a,8b-octahydro-2-oxo-1-oxa-acenaphthene-3-carboxylate
CAS Registry Number 122458-02-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-16-12(14)8-6-5-7-3-2-4-9-10(7)11(8)13(15)17-9/h5,8-11H,2-4,6H2,1H3
InChIKey MWJQSNOCDXNXEL-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C1(C2C3C(CCCC3O1)=CCC2C(=O)OC)=O
SPLASH splash10-0006-9010000000-b62a6df371179e2bc629
Source of Spectrum KC-1989-993-58
Synonyms (2aRS,3SR,8aSR,8bRS)-Methyl 2s,3,4,6,7,8,8a,8b-octahydro-2-oxo-1-oxa-acenaphthene-3-carboxylate (2aRS,3SR,8aSR,8bRS)-methyl 2s,3,4,6,7,8,8a,8b-octahydro-2-oxo-1-oxa-acenaphthiene-3-carboxylate methyl 2-oxo-2a,3,4,6,7,8,8a,8b-octahydro-2H-naphtho[1,8-bc]furan-3-carboxylate
Wiley ID 1238091