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2,1-Benzisoxazole-6-carboxamide, N-(2'-benzoylphenyl)-5-chloro-3-phenyl-
SpectraBase Compound ID DUZTlMONgw6
InChI InChI=1S/C27H17ClN2O3/c28-22-15-21-24(30-33-26(21)18-11-5-2-6-12-18)16-20(22)27(32)29-23-14-8-7-13-19(23)25(31)17-9-3-1-4-10-17/h1-16H,(H,29,32)
InChIKey KBYMCLWRVZOMMP-UHFFFAOYSA-N
Mol Weight 452.9 g/mol
Molecular Formula C27H17ClN2O3
Exact Mass 452.09277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 97tz9Bb7bKt
Name 2,1-BENZISOXAZOL-6-CARBOXYLIC ACID AMIDE, N-(2'-BENZOYLPHENYL)-5-CHLORO-3-PHENYL-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H17ClN2O3
InChI InChI=1S/C27H17ClN2O3/c28-22-15-21-24(30-33-26(21)18-11-5-2-6-12-18)16-20(22)27(32)29-23-14-8-7-13-19(23)25(31)17-9-3-1-4-10-17/h1-16H,(H,29,32)
InChIKey KBYMCLWRVZOMMP-UHFFFAOYSA-N
Molecular Weight 452.0924
SMILES N(c1c(C(=O)c2ccccc2)cccc1)C(=O)c1c(cc2c(onc2c1)-c1ccccc1)Cl
SPLASH splash10-0a4i-3982300000-20133a57812e93be9c28
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany