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

*Links on SpectraBase are not permalinks.

Benzoic acid, 2-[[[[[4-methyl-6-(1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]-, methyl ester

View entire compound with spectra: 1 FTIR

Benzoic acid, 2-[[[[[4-methyl-6-(1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]-, methyl ester
SpectraBase Compound ID GnR8Ph9BqPn
InChI InChI=1S/C16H15N7O5S/c1-10-18-14(20-15(19-10)23-9-5-8-17-23)21-16(25)22-29(26,27)12-7-4-3-6-11(12)13(24)28-2/h3-9H,1-2H3,(H2,18,19,20,21,22,25)
InChIKey NXBKOKYAPJCUKW-UHFFFAOYSA-N
Mol Weight 417.4 g/mol
Molecular Formula C16H15N7O5S
Exact Mass 417.085538 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID g4RKAlNnzq
Name Benzoic acid, 2-[[[[[4-methyl-6-(1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]-, methyl ester
CAS Registry Number 115930-79-5
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H15N7O5S
InChI InChI=1S/C16H15N7O5S/c1-10-18-14(20-15(19-10)23-9-5-8-17-23)21-16(25)22-29(26,27)12-7-4-3-6-11(12)13(24)28-2/h3-9H,1-2H3,(H2,18,19,20,21,22,25)
InChIKey NXBKOKYAPJCUKW-UHFFFAOYSA-N
Instrument Name Bruker IFS 85
Purity slightly contaminated
Technique KBr-Pellet