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N-benzoyl-O-benzyl-N-(phenylsulfonyl)-4-[3-(1-propenyl)]-2,5-diaminophenol
SpectraBase Compound ID 6tNjGpI2y4w
InChI InChI=1S/C29H26N2O4S/c1-2-12-24-19-27(28(20-26(24)30)35-21-22-13-6-3-7-14-22)31(29(32)23-15-8-4-9-16-23)36(33,34)25-17-10-5-11-18-25/h2-11,13-20H,1,12,21,30H2
InChIKey ZAXIKQWEEIFIHR-UHFFFAOYSA-N
Mol Weight 498.6 g/mol
Molecular Formula C29H26N2O4S
Exact Mass 498.161328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdOT9bisXQB
Name N-benzoyl-O-benzyl-N-(phenylsulfonyl)-4-[3-(1-propenyl)]-2,5-diaminophenol
CAS Registry Number 124400-70-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H26N2O4S
InChI InChI=1S/C29H26N2O4S/c1-2-12-24-19-27(28(20-26(24)30)35-21-22-13-6-3-7-14-22)31(29(32)23-15-8-4-9-16-23)36(33,34)25-17-10-5-11-18-25/h2-11,13-20H,1,12,21,30H2
InChIKey ZAXIKQWEEIFIHR-UHFFFAOYSA-N
Molecular Weight 498.597 g/mol
SMILES Nc1cc(c(N(S(=O)(=O)c2ccccc2)C(=O)c2ccccc2)cc1CC=C)OCc1ccccc1
SPLASH splash10-054o-9400000000-9278755c88b5af217f6c
Source of Spectrum J-55-1389-34
Synonyms N-[5-allyl-4-amino-2-(benzyloxy)phenyl]-N-benzoylbenzenesulfonamide
Wiley ID 1398596