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2,1-Benzisoxazole-6-carboxamide, N-(2'-benzoyl-5'-carboxyl-4'-chlorophenyl)-5-chloro-3-phenyl-
SpectraBase Compound ID LeVRU5x2PRn
InChI InChI=1S/C28H16Cl2N2O5/c29-21-12-20-24(32-37-26(20)16-9-5-2-6-10-16)13-17(21)27(34)31-23-14-18(28(35)36)22(30)11-19(23)25(33)15-7-3-1-4-8-15/h1-14H,(H,31,34)(H,35,36)
InChIKey CSABDTRYSLNFJE-UHFFFAOYSA-N
Mol Weight 531.35 g/mol
Molecular Formula C28H16Cl2N2O5
Exact Mass 530.043627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5XqQzrp5Ow
Name 2,1-BENZISOXAZOL-6-CARBOXYLIC ACID AMIDE, N-(2'-BENZOYL-5'-CARBOXYL-4'-CHLOROPHENYL)-5-CHLORO-3-PHENYL-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H16Cl2N2O5
InChI InChI=1S/C28H16Cl2N2O5/c29-21-12-20-24(32-37-26(20)16-9-5-2-6-10-16)13-17(21)27(34)31-23-14-18(28(35)36)22(30)11-19(23)25(33)15-7-3-1-4-8-15/h1-14H,(H,31,34)(H,35,36)
InChIKey CSABDTRYSLNFJE-UHFFFAOYSA-N
Molecular Weight 530.0433
SMILES N(c1c(cc(c(C(O)=O)c1)Cl)C(=O)c1ccccc1)C(=O)c1c(cc2c(onc2c1)-c1ccccc1)Cl
SPLASH splash10-0a4i-3590020000-9bf650aa1913bb5e0949
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany