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5-Benzoyl-3-phenyl-4,5-dihydroisoxazole-5-carbonitrile

View entire compound with spectra: 1 MS (GC)

5-Benzoyl-3-phenyl-4,5-dihydroisoxazole-5-carbonitrile
SpectraBase Compound ID 14q4AKbb03y
InChI InChI=1S/C17H12N2O2/c18-12-17(16(20)14-9-5-2-6-10-14)11-15(19-21-17)13-7-3-1-4-8-13/h1-10H,11H2
InChIKey BUSOYAKISPPLNJ-UHFFFAOYSA-N
Mol Weight 276.29 g/mol
Molecular Formula C17H12N2O2
Exact Mass 276.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3g29iZZCGrb
Name 5-Benzoyl-3-phenyl-4,5-dihydroisoxazole-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12N2O2
InChI InChI=1S/C17H12N2O2/c18-12-17(16(20)14-9-5-2-6-10-14)11-15(19-21-17)13-7-3-1-4-8-13/h1-10H,11H2
InChIKey BUSOYAKISPPLNJ-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4cc02084g
Molecular Weight 276.295 g/mol
SMILES C1(CC(=NO1)c1ccccc1)(C(=O)c1ccccc1)C#N
SPLASH splash10-0a4i-0900000000-4ec2b2ff5ce799c95829
Source of Spectrum KD-50-6906/SM-3ae
Wiley ID 1754666