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

*Links on SpectraBase are not permalinks.
2-[4-(3,5-diaminopyrazole-1-carbonyl)phenyl]iminothiazolidin-4-one
SpectraBase Compound ID 6BVbUMQ8zJJ
InChI InChI=1S/C13H12N6O2S/c14-9-5-10(15)19(18-9)12(21)7-1-3-8(4-2-7)16-13-17-11(20)6-22-13/h1-5H,6,15H2,(H2,14,18)(H,16,17,20)
InChIKey QPZRDZVUVCTHKP-UHFFFAOYSA-N
Mol Weight 316.34 g/mol
Molecular Formula C13H12N6O2S
Exact Mass 316.074245 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 JkWmHWYBBFg
Name 2-[4-(3,5-diaminopyrazole-1-carbonyl)phenyl]iminothiazolidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N6O2S
InChI InChI=1S/C13H12N6O2S/c14-9-5-10(15)19(18-9)12(21)7-1-3-8(4-2-7)16-13-17-11(20)6-22-13/h1-5H,6,15H2,(H2,14,18)(H,16,17,20)
InChIKey QPZRDZVUVCTHKP-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP 2010 plus or Thermo Scientific ISQ LT
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202100451
Molecular Weight 316.339 g/mol
SMILES N1C(CSC1=Nc1ccc(C([n]2nc(cc2N)N)=O)cc1)=O
SPLASH splash10-05e9-9582000000-158c65c598dbea2f4ec6
Source of Spectrum APC-355-SM6-Vlla
Wiley ID 1868745