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Ethyl 2-benzoyl-5-cyanopentanoate

View entire compound with spectra: 1 MS (GC)

Ethyl 2-benzoyl-5-cyanopentanoate
SpectraBase Compound ID AI6yyui6HAF
InChI InChI=1S/C15H17NO3/c1-2-19-15(18)13(10-6-7-11-16)14(17)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10H2,1H3
InChIKey BNHUJHALPHLMRF-UHFFFAOYSA-N
Mol Weight 259.3 g/mol
Molecular Formula C15H17NO3
Exact Mass 259.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxBoXTBJ2Eq
Name Ethyl 2-benzoyl-5-cyanopentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO3
InChI InChI=1S/C15H17NO3/c1-2-19-15(18)13(10-6-7-11-16)14(17)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10H2,1H3
InChIKey BNHUJHALPHLMRF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201204469
Molecular Weight 259.305 g/mol
SMILES c1(C(C(C(OCC)=O)CCCC#N)=O)ccccc1
SPLASH splash10-0a4i-1900000000-18bab4301e4cf433069d
Source of Spectrum ACI-51-SM12-S3m
Wiley ID 1780652