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Benzeneheptanenitrile, .zeta.-hydroxy-.beta.,.delta.-dioxo-.zeta.-phenyl-
SpectraBase Compound ID CI3PGLaBuF8
InChI InChI=1S/C19H17NO3/c20-12-11-17(21)13-18(22)14-19(23,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,23H,11,13-14H2
InChIKey MSRTWPKRNBRTAL-UHFFFAOYSA-N
Mol Weight 307.35 g/mol
Molecular Formula C19H17NO3
Exact Mass 307.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQndsdf21DB
Name Benzeneheptanenitrile, .zeta.-hydroxy-.beta.,.delta.-dioxo-.zeta.-phenyl-
CAS Registry Number 115706-53-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17NO3
InChI InChI=1S/C19H17NO3/c20-12-11-17(21)13-18(22)14-19(23,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,23H,11,13-14H2
InChIKey MSRTWPKRNBRTAL-UHFFFAOYSA-N
Molecular Weight 307.349 g/mol
SMILES OC(CC(CC(=O)CC#N)=O)(c1ccccc1)c1ccccc1
SPLASH splash10-0a7i-6900000000-3fbe7699cee3546cbf5a
Source of Spectrum C-110-6184-24
Synonyms 7,7-Diphenyl-3,5-dioxo-7-hydroxyheptanenitrile 7-Hydroxy-3,5-dioxo-7,7-diphenylheptanenitrile
Wiley ID 1309103