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

*Links on SpectraBase are not permalinks.
Cyclopentane-1-carboxylic acid, 3-acetyl-2-acetonyl-4,4-dimethyl-, methyl ester (1R,3S)-
SpectraBase Compound ID 5iRL1LNKx5M
InChI InChI=1S/C14H22O4/c1-8(15)6-10-11(13(17)18-5)7-14(3,4)12(10)9(2)16/h10-12H,6-7H2,1-5H3
InChIKey WMACRCUKRJWPJM-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 4O9JQ4QiaR
Name Cyclopentane-1-carboxylic acid, 3-acetyl-2-acetonyl-4,4-dimethyl-, methyl ester (1R,3S)-
CAS Registry Number 78092-00-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-8(15)6-10-11(13(17)18-5)7-14(3,4)12(10)9(2)16/h10-12H,6-7H2,1-5H3
InChIKey WMACRCUKRJWPJM-UHFFFAOYSA-N
Molecular Weight 254.326 g/mol
SMILES C1C(C(C(C1(C)C)C(C)=O)CC(C)=O)C(=O)OC
SPLASH splash10-0006-8920000000-e80d2eaae185a0ebb9ba
Synonyms 2-Acetonyl-3-acetyl-4,4-dimethyl-cyclopentanecarboxylic acid methyl ester 3-Acetyl-4,4-dimethyl-2-(2-oxopropyl)-1-cyclopentanecarboxylic acid methyl ester Methyl 2-acetonyl-3-acetyl-4,4-dimethyl-cyclopentanecarboxylate Methyl 3-acetyl-4,4-dimethyl-2-(2-oxopropyl)cyclopentane-1-carboxylate Methyl 3-acetyl-4,4-dimethyl-2-(2-oxopropyl)cyclopentanecarboxylate Methyl 3-ethanoyl-4,4-dimethyl-2-(2-oxidanylidenepropyl)cyclopentane-1-carboxylate
Wiley ID 1478852