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

*Links on SpectraBase are not permalinks.

1H-Pyrazole-1-butanamide, N-[2-(methylthio)phenyl]-4-nitro-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1H-Pyrazole-1-butanamide, N-[2-(methylthio)phenyl]-4-nitro-
SpectraBase Compound ID 2NH5Q3sL4nd
InChI InChI=1S/C14H16N4O3S/c1-22-13-6-3-2-5-12(13)16-14(19)7-4-8-17-10-11(9-15-17)18(20)21/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,16,19)
InChIKey HDELXDDMDYCAQD-UHFFFAOYSA-N
Mol Weight 320.37 g/mol
Molecular Formula C14H16N4O3S
Exact Mass 320.094312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID FaYi6ATzyQX
Name 1H-Pyrazole-1-butanamide, N-[2-(methylthio)phenyl]-4-nitro-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.094311562 u
Formula C14H16N4O3S
InChI InChI=1S/C14H16N4O3S/c1-22-13-6-3-2-5-12(13)16-14(19)7-4-8-17-10-11(9-15-17)18(20)21/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,16,19)
InChIKey HDELXDDMDYCAQD-UHFFFAOYSA-N
Molecular Weight 320.367 g/mol
SMILES C1(N(=O)=O)=CN(CCCC(NC2=C(SC)C=CC=C2)=O)N=C1