For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,4-Bis-(4-hydroxy-benzyl)-7-nitro-1,2,4,5-tetrahydro-benzo[e][1,4]diazepin-3-one
SpectraBase Compound ID b0DUACboBp
InChI InChI=1S/C23H21N3O5/c27-19-6-1-15(2-7-19)11-22-23(29)25(13-16-3-8-20(28)9-4-16)14-17-12-18(26(30)31)5-10-21(17)24-22/h1-10,12,22,24,27-28H,11,13-14H2
InChIKey WOLRJVBZXGUILN-UHFFFAOYSA-N
Mol Weight 419.44 g/mol
Molecular Formula C23H21N3O5
Exact Mass 419.148121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DYbYvHsh25I
Name 2,4-Bis-(4-hydroxy-benzyl)-7-nitro-1,2,4,5-tetrahydro-benzo[e][1,4]diazepin-3-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21N3O5
InChI InChI=1S/C23H21N3O5/c27-19-6-1-15(2-7-19)11-22-23(29)25(13-16-3-8-20(28)9-4-16)14-17-12-18(26(30)31)5-10-21(17)24-22/h1-10,12,22,24,27-28H,11,13-14H2
InChIKey WOLRJVBZXGUILN-UHFFFAOYSA-N
Molecular Weight 419.437 g/mol
SMILES N1c2c(CN(C(C1Cc1ccc(cc1)O)=O)Cc1ccc(O)cc1)cc(cc2)N(=O)=O
SPLASH splash10-08fr-0049000000-bc65b08f7acdc3e0e585
Source of Spectrum F-65-4525-7
Synonyms 2-[4-(4-Hydroxybenzyl)-7-nitro-3-oxo-2,3,4,5-tetrahydro-1H-[1,4]-benzodiazepin-2-yl]acetamide
Wiley ID 1680985