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4-(5-benzoyl-2-oxo-6phenyl-3, 4-dihydro-2H-pyran-3-yl)-butyronitrile
SpectraBase Compound ID F0rHVt4hgR2
InChI InChI=1S/C22H19NO3/c23-14-8-7-13-18-15-19(20(24)16-9-3-1-4-10-16)21(26-22(18)25)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13,15H2
InChIKey XVDFXFOCBLDFGN-UHFFFAOYSA-N
Mol Weight 345.4 g/mol
Molecular Formula C22H19NO3
Exact Mass 345.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9J9PQq4jKVP
Name 4-(5-benzoyl-2-oxo-6phenyl-3, 4-dihydro-2H-pyran-3-yl)-butyronitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19NO3
InChI InChI=1S/C22H19NO3/c23-14-8-7-13-18-15-19(20(24)16-9-3-1-4-10-16)21(26-22(18)25)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13,15H2
InChIKey XVDFXFOCBLDFGN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol070231b
Molecular Weight 345.398 g/mol
SMILES C1(C(CCCC#N)CC(C(c2ccccc2)=O)=C(c2ccccc2)O1)=O
SPLASH splash10-0ab9-7943000000-78a1431c5a5b679c01c0
Source of Spectrum A1-9-1647/SMS6-3k
Synonyms 4-(5-benzoyl-2-oxo-6-phenyl-3,4-dihydro-2H-pyran-3-yl)butanenitrile 4-(5-benzoyl-2-oxo-6-phenyl-3,4-dihydropyran-3-yl)butanenitrile 4-[2-oxidanylidene-6-phenyl-5-(phenylcarbonyl)-3,4-dihydropyran-3-yl]butanenitrile
Wiley ID 1758046