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N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-(4-methylsulfanylphenyl)-1,2,3,4-tetrazol-2-yl]ethanamide

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

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-(4-methylsulfanylphenyl)-1,2,3,4-tetrazol-2-yl]ethanamide
SpectraBase Compound ID 4PPeD3UXzDo
InChI InChI=1S/C22H27N5O3S/c1-4-29-19-11-6-16(14-20(19)30-5-2)12-13-23-21(28)15-27-25-22(24-26-27)17-7-9-18(31-3)10-8-17/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,28)
InChIKey QXCYAFMSOWHQTO-UHFFFAOYSA-N
Mol Weight 441.55 g/mol
Molecular Formula C22H27N5O3S
Exact Mass 441.183461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1LWaiSoP116
Name N-[2-(3,4-Diethoxyphenyl)ethyl]-2-[5-(4-methylsulfanylphenyl)-1,2,3,4-tetrazol-2-yl]ethanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.183460920 u
Formula C22H27N5O3S
InChI InChI=1S/C22H27N5O3S/c1-4-29-19-11-6-16(14-20(19)30-5-2)12-13-23-21(28)15-27-25-22(24-26-27)17-7-9-18(31-3)10-8-17/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,28)
InChIKey QXCYAFMSOWHQTO-UHFFFAOYSA-N
Molecular Weight 441.550 g/mol
SMILES CCOC1=CC(CCNC(CN2N=C(N=N2)C=2C=CC(=CC2)SC)=O)=CC=C1OCC