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N-(3-Nitro-phenyl)-2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetamide

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

N-(3-Nitro-phenyl)-2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetamide
SpectraBase Compound ID 6taXxBObSZG
InChI InChI=1S/C15H12N6O3S/c22-14(16-11-5-4-8-13(9-11)21(23)24)10-25-15-17-18-19-20(15)12-6-2-1-3-7-12/h1-9H,10H2,(H,16,22)
InChIKey IPSZZYXHAOQNRB-UHFFFAOYSA-N
Mol Weight 356.36 g/mol
Molecular Formula C15H12N6O3S
Exact Mass 356.069159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HjYg65cBrq7
Name N-(3-Nitro-phenyl)-2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.069159441 u
Formula C15H12N6O3S
InChI InChI=1S/C15H12N6O3S/c22-14(16-11-5-4-8-13(9-11)21(23)24)10-25-15-17-18-19-20(15)12-6-2-1-3-7-12/h1-9H,10H2,(H,16,22)
InChIKey IPSZZYXHAOQNRB-UHFFFAOYSA-N
Molecular Weight 356.360 g/mol
SMILES C1=CC=C(N2C(=NN=N2)SCC(NC=2C=C(N(=O)=O)C=CC2)=O)C=C1