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2-[1-(4-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
SpectraBase Compound ID BDtTmbuIVen
InChI InChI=1S/C18H19N5O2S/c1-25-16-9-7-15(8-10-16)23-18(20-21-22-23)26-13-17(24)19-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,24)
InChIKey YJUUHBFHTWNKNG-UHFFFAOYSA-N
Mol Weight 369.44 g/mol
Molecular Formula C18H19N5O2S
Exact Mass 369.125946 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ENgS1IxjqnR
Name 2-[1-(4-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.125946044 u
Formula C18H19N5O2S
InChI InChI=1S/C18H19N5O2S/c1-25-16-9-7-15(8-10-16)23-18(20-21-22-23)26-13-17(24)19-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,24)
InChIKey YJUUHBFHTWNKNG-UHFFFAOYSA-N
Molecular Weight 369.443 g/mol
SMILES C1=CC=C(C=C1)CCNC(CSC=1N(C2=CC=C(OC)C=C2)N=NN1)=O