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

*Links on SpectraBase are not permalinks.
8-iodo-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester
SpectraBase Compound ID GyUzo8erwOr
InChI InChI=1S/C17H18IN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3
InChIKey YVPJMZCJVHJOFG-UHFFFAOYSA-N
Mol Weight 439.25 g/mol
Molecular Formula C17H18IN3O3
Exact Mass 439.039286 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 1Hfuf43dOC
Name 8-iodo-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester
Alternate Name(s) 8-iodo-6-keto-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester tert-Butyl 8-iodanyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate tert-Butyl 8-iodo-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18IN3O3
InChI InChI=1S/C17H18IN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3
InChIKey YVPJMZCJVHJOFG-UHFFFAOYSA-N
Molecular Weight 439.253 g/mol
SMILES c12[n](-c3c(C(N(C2)C)=O)cc(cc3)I)cnc1C(=O)OC(C)(C)C
SPLASH splash10-0016-5009000000-504f2e4e811f98dc43d3
Source of Spectrum B-52-1065-7
Wiley ID 746882