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

*Links on SpectraBase are not permalinks.
Isobromodeoxy-topsentin
SpectraBase Compound ID 9YZu5ucGyHx
InChI InChI=1S/C20H13BrN4O/c21-12-5-6-13-14(9-22-16(13)8-12)19(26)20-23-10-18(25-20)17-7-11-3-1-2-4-15(11)24-17/h1-10,22,24H,(H,23,25)
InChIKey KGZACQWOSQBBMF-UHFFFAOYSA-N
Mol Weight 405.26 g/mol
Molecular Formula C20H13BrN4O
Exact Mass 404.027274 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 3svKk4Xp9Ij
Name Isobromodeoxy-topsentin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13BrN4O
InChI InChI=1S/C20H13BrN4O/c21-12-5-6-13-14(9-22-16(13)8-12)19(26)20-23-10-18(25-20)17-7-11-3-1-2-4-15(11)24-17/h1-10,22,24H,(H,23,25)
InChIKey KGZACQWOSQBBMF-UHFFFAOYSA-N
Molecular Weight 405.255 g/mol
SMILES [nH]1c(C(c2c[nH]c3c2ccc(c3)Br)=O)ncc1-c1[nH]c2ccccc2c1
SPLASH splash10-0a4i-0161900000-b18920d9f37be0970eea
Source of Spectrum G4-62-649-2
Synonyms 5-(Indol-3'-yl)-2-[6''-bromoindol-3''-yl)carbonyl]-1,3-diazole
Wiley ID 1607863