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

*Links on SpectraBase are not permalinks.
N1-[4-[5-(2-THIENYL)-4,5-DIHYDRO-1H-3-PYRAZOLYL]-PHENYL]-5-CHLORO-2-METHOXYBENZAMIDE
SpectraBase Compound ID 8aI1HxPhH9C
InChI InChI=1S/C21H18ClN3O2S/c1-27-19-9-6-14(22)11-16(19)21(26)23-15-7-4-13(5-8-15)17-12-18(25-24-17)20-3-2-10-28-20/h2-11,18,25H,12H2,1H3,(H,23,26)
InChIKey QMFBIFFJEJAAHQ-UHFFFAOYSA-N
Mol Weight 411.91 g/mol
Molecular Formula C21H18ClN3O2S
Exact Mass 411.080826 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 IROZzvsXl6U
Name N(1)-{4-[5'-(2"-Thienyl)-4',5'-dihydro-1H-pyrazol-3'-yl]phenyl}-5-chloro-2-methoxybenzamide
Alternate Name(s) 5-chloro-2-methoxy-N-[4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]benzamide 5-chloro-2-methoxy-N-[4-[5-(2-thienyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzamide 5-chloranyl-2-methoxy-N-[4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]benzamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18ClN3O2S
InChI InChI=1S/C21H18ClN3O2S/c1-27-19-9-6-14(22)11-16(19)21(26)23-15-7-4-13(5-8-15)17-12-18(25-24-17)20-3-2-10-28-20/h2-11,18,25H,12H2,1H3,(H,23,26)
InChIKey QMFBIFFJEJAAHQ-UHFFFAOYSA-N
Molecular Weight 411.907 g/mol
SMILES N(C(c1c(ccc(c1)Cl)OC)=O)c1ccc(C2=NNC(C2)c2sccc2)cc1
SPLASH splash10-03di-0009500000-185111f386646aa61413
Source of Spectrum AH-139-74-9
Wiley ID 1696009