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1-(4-Cyanobutyl)-2-oxo-1-cyclopentane carboxylic acid ethyl ester
SpectraBase Compound ID K6Yl3DIpcLX
InChI InChI=1S/C13H19NO3/c1-2-17-12(16)13(8-4-3-5-10-14)9-6-7-11(13)15/h2-9H2,1H3
InChIKey BBUBPWWTMLFNCK-UHFFFAOYSA-N
Mol Weight 237.3 g/mol
Molecular Formula C13H19NO3
Exact Mass 237.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDkop2ABkCp
Name 1-(4-Cyanobutyl)-2-oxo-1-cyclopentane carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO3
InChI InChI=1S/C13H19NO3/c1-2-17-12(16)13(8-4-3-5-10-14)9-6-7-11(13)15/h2-9H2,1H3
InChIKey BBUBPWWTMLFNCK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19751080531
Molecular Weight 237.299 g/mol
SMILES C1CCC(C1=O)(C(OCC)=O)CCCCC#N
SPLASH splash10-0006-9100000000-b00e649d58403332988c
Source of Spectrum K-108-1627-3c
Synonyms Ethyl 1-(4-cyanobutyl)-2-oxocyclopentane-1-carboxylate
Wiley ID 1793918