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

*Links on SpectraBase are not permalinks.

2-(Methylsulfonyl)-3-[1'-(p-nitrophenyl)-3'-phenylpyrazol-3'-yl]-5-methylthiophene

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

2-(Methylsulfonyl)-3-[1'-(p-nitrophenyl)-3'-phenylpyrazol-3'-yl]-5-methylthiophene
SpectraBase Compound ID 8hep4fhqlTe
InChI InChI=1S/C21H17N3O4S2/c1-14-12-18(21(29-14)30(2,27)28)19-13-20(15-6-4-3-5-7-15)23(22-19)16-8-10-17(11-9-16)24(25)26/h3-13H,1-2H3
InChIKey SHCAJWJDNYPZIO-UHFFFAOYSA-N
Mol Weight 439.5 g/mol
Molecular Formula C21H17N3O4S2
Exact Mass 439.066048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 4awLxuoKMeW
Name 2-(Methylsulfonyl)-3-[1'-(p-nitrophenyl)-3'-phenylpyrazol-3'-yl]-5-methylthiophene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.066048383 u
Formula C21H17N3O4S2
InChI InChI=1S/C21H17N3O4S2/c1-14-12-18(21(29-14)30(2,27)28)19-13-20(15-6-4-3-5-7-15)23(22-19)16-8-10-17(11-9-16)24(25)26/h3-13H,1-2H3
InChIKey SHCAJWJDNYPZIO-UHFFFAOYSA-N
Molecular Weight 439.504 g/mol
SMILES C1(=C(S(=O)(=O)C)SC(=C1)C)C1=NN(C2=CC=C(N(=O)=O)C=C2)C(=C1)C=1C=CC=CC1