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

*Links on SpectraBase are not permalinks.
Topiroxostat
SpectraBase Compound ID 6lXvH1tf08B
InChI InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19)
InChIKey UBVZQGOVTLIHLH-UHFFFAOYSA-N
Mol Weight 248.25 g/mol
Molecular Formula C13H8N6
Exact Mass 248.081044 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID btBi7kqzAq
Name Topiroxostat
Source of Sample Cayman Chemical Company
Catalog Number 21267
Lot Number 0497864-1
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 577778-58-6
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8N6
IUPAC Name 4-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]-2-pyridinecarbonitrile
InChI InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19)
InChIKey UBVZQGOVTLIHLH-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES [nH]1c(nnc1-c1ccnc(C#N)c1)-c1ccncc1
Source of Spectrum Forensic Spectral Research
Synonyms FYX-051
Technique ATR-Neat