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

*Links on SpectraBase are not permalinks.

N-(2-benzoyl-4-chloro-phenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-acetamide

View entire compound with spectra: 1 NMR, and 2 MS (GC)

N-(2-benzoyl-4-chloro-phenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-acetamide
SpectraBase Compound ID EQYrvhA2dD0
InChI InChI=1S/C23H18ClN5O2S/c1-29-23(26-27-28-29)32-21(16-10-6-3-7-11-16)22(31)25-19-13-12-17(24)14-18(19)20(30)15-8-4-2-5-9-15/h2-14,21H,1H3,(H,25,31)
InChIKey CKCFGOROERLMFH-UHFFFAOYSA-N
Mol Weight 463.94 g/mol
Molecular Formula C23H18ClN5O2S
Exact Mass 463.086974 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 7QwrDfsuYCG
Name N-(2-Benzoyl-4-chloro-phenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.086973712 u
Formula C23H18ClN5O2S
InChI InChI=1S/C23H18ClN5O2S/c1-29-23(26-27-28-29)32-21(16-10-6-3-7-11-16)22(31)25-19-13-12-17(24)14-18(19)20(30)15-8-4-2-5-9-15/h2-14,21H,1H3,(H,25,31)
InChIKey CKCFGOROERLMFH-UHFFFAOYSA-N
Molecular Weight 463.943 g/mol
SMILES C=1(Cl)C=C(C(NC(C(C2=CC=CC=C2)SC2=NN=NN2C)=O)=CC1)C(=O)C=1C=CC=CC1