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9-Phenyl-5-[3-(3-methyl-1-phenylsulfonylindol-3-yl)-2-methylenepropyl]-5,8-benzodiazepine-6-one
SpectraBase Compound ID JzOHqLh6u2a
InChI InChI=1S/C34H31N3O3S/c1-25(23-36-30-19-11-9-17-28(30)33(35-22-32(36)38)26-13-5-3-6-14-26)21-34(2)24-37(31-20-12-10-18-29(31)34)41(39,40)27-15-7-4-8-16-27/h3-20H,1,21-24H2,2H3
InChIKey WMHLQRFMLFARMQ-UHFFFAOYSA-N
Mol Weight 561.7 g/mol
Molecular Formula C34H31N3O3S
Exact Mass 561.208613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERrLW5MhsAB
Name 9-Phenyl-5-[3-(3-methyl-1-phenylsulfonylindol-3-yl)-2-methylenepropyl]-5,8-benzodiazepine-6-one
Alternate Name(s) 1-[2-(1-Benzenesulfonyl-3-methyl-2,3-dihydro-1H-indol-3-ylmethyl)-allyl]-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H31N3O3S
InChI InChI=1S/C34H31N3O3S/c1-25(23-36-30-19-11-9-17-28(30)33(35-22-32(36)38)26-13-5-3-6-14-26)21-34(2)24-37(31-20-12-10-18-29(31)34)41(39,40)27-15-7-4-8-16-27/h3-20H,1,21-24H2,2H3
InChIKey WMHLQRFMLFARMQ-UHFFFAOYSA-N
Molecular Weight 561.700 g/mol
SMILES c12N(S(=O)(=O)c3ccccc3)CC(c1cccc2)(CC(CN1c2c(C(c3ccccc3)=NCC1=O)cccc2)=C)C
SPLASH splash10-008c-4980100000-9c87287241742daebd3a
Source of Spectrum F-56-7559-6
Wiley ID 858669