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2-Benzylsulfanyl-4-nitro-N-p-tolyl-benzamide

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

2-Benzylsulfanyl-4-nitro-N-p-tolyl-benzamide
SpectraBase Compound ID J7rnk2uuTvJ
InChI InChI=1S/C21H18N2O3S/c1-15-7-9-17(10-8-15)22-21(24)19-12-11-18(23(25)26)13-20(19)27-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,24)
InChIKey UGSUZEIEZRZRBB-UHFFFAOYSA-N
Mol Weight 378.45 g/mol
Molecular Formula C21H18N2O3S
Exact Mass 378.103814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vACiRSM7A1
Name 2-Benzylsulfanyl-4-nitro-N-p-tolyl-benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.103813619 u
Formula C21H18N2O3S
InChI InChI=1S/C21H18N2O3S/c1-15-7-9-17(10-8-15)22-21(24)19-12-11-18(23(25)26)13-20(19)27-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,24)
InChIKey UGSUZEIEZRZRBB-UHFFFAOYSA-N
Molecular Weight 378.446 g/mol
SMILES C1=CC=C(C=C1)CSC=1C(=CC=C(C1)N(=O)=O)C(NC=1C=CC(C)=CC1)=O