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

*Links on SpectraBase are not permalinks.
Bromotopsentin
SpectraBase Compound ID 6gWI0UGQ6xS
InChI InChI=1S/C20H13BrN4O2/c21-10-1-3-12-14(7-22-16(12)5-10)18-9-24-20(25-18)19(27)15-8-23-17-6-11(26)2-4-13(15)17/h1-9,22-23,26H,(H,24,25)
InChIKey YHGQVXFIJGWOFP-UHFFFAOYSA-N
Mol Weight 421.25 g/mol
Molecular Formula C20H13BrN4O2
Exact Mass 420.022189 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 LoMHv3ZClvE
Name Bromotopsentin
CAS Registry Number 112515-44-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13BrN4O2
InChI InChI=1S/C20H13BrN4O2/c21-10-1-3-12-14(7-22-16(12)5-10)18-9-24-20(25-18)19(27)15-8-23-17-6-11(26)2-4-13(15)17/h1-9,22-23,26H,(H,24,25)
InChIKey YHGQVXFIJGWOFP-UHFFFAOYSA-N
Molecular Weight 421.254 g/mol
SMILES [nH]1c2c(c(-c3nc(C(c4c5ccc(cc5[nH]c4)O)=O)[nH]c3)c1)ccc(c2)Br
SPLASH splash10-01q9-0910200000-c7a298867c12cccb3ee8
Source of Spectrum I-65-2120-0
Synonyms Topsentin B 2 [5-(6-bromanyl-1H-indol-3-yl)-1H-imidazol-2-yl]-(6-oxidanyl-1H-indol-3-yl)methanone [5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(6-hydroxy-1H-indol-3-yl)methanone
Wiley ID 1377829