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N-(4-butoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide

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

N-(4-butoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide
SpectraBase Compound ID G8qaSYd5BV6
InChI InChI=1S/C19H21N5O2S/c1-2-3-13-26-17-11-9-15(10-12-17)20-18(25)14-27-19-21-22-23-24(19)16-7-5-4-6-8-16/h4-12H,2-3,13-14H2,1H3,(H,20,25)
InChIKey ZUUVNXHEZSRHSM-UHFFFAOYSA-N
Mol Weight 383.47 g/mol
Molecular Formula C19H21N5O2S
Exact Mass 383.141596 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5G5ZFOXuT1z
Name N-(4-Butoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.141596108 u
Formula C19H21N5O2S
InChI InChI=1S/C19H21N5O2S/c1-2-3-13-26-17-11-9-15(10-12-17)20-18(25)14-27-19-21-22-23-24(19)16-7-5-4-6-8-16/h4-12H,2-3,13-14H2,1H3,(H,20,25)
InChIKey ZUUVNXHEZSRHSM-UHFFFAOYSA-N
Molecular Weight 383.470 g/mol
SMILES C=1C=CC(N2C(=NN=N2)SCC(NC2=CC=C(C=C2)OCCCC)=O)=CC1