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

*Links on SpectraBase are not permalinks.
3-Oxobutyric acid, 2-(2-oxocycloheptyl)methyl-, ethyl ester
SpectraBase Compound ID HYi6NUbF1Rh
InChI InChI=1S/C14H22O4/c1-3-18-14(17)12(10(2)15)9-11-7-5-4-6-8-13(11)16/h11-12H,3-9H2,1-2H3
InChIKey OTSZPSIENKKMBD-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 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 3x35pet1aR1
Name 3-OXOBUTYRIC ACID, 2-(2-OXOCYCLOHEPTYL)METHYL-, ETHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-3-18-14(17)12(10(2)15)9-11-7-5-4-6-8-13(11)16/h11-12H,3-9H2,1-2H3
InChIKey OTSZPSIENKKMBD-UHFFFAOYSA-N
Instrument Name 8230
Molecular Weight 254.1512
SMILES C1C(=O)C(CC(C(OCC)=O)C(C)=O)CCCC1
SPLASH splash10-0006-9500000000-c34249eae6b582ed2047
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany