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2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide

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

2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
SpectraBase Compound ID 2ehDeGrgDct
InChI InChI=1S/C21H24ClN5O3S/c1-3-29-18-10-9-15(13-19(18)30-4-2)11-12-23-20(28)14-31-21-24-25-26-27(21)17-8-6-5-7-16(17)22/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,28)
InChIKey ILISNTZGVYQNTO-UHFFFAOYSA-N
Mol Weight 461.97 g/mol
Molecular Formula C21H24ClN5O3S
Exact Mass 461.128839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EgS7oGMRJuw
Name 2-[1-(2-Chlorophenyl)tetrazol-5-yl]sulfanyl-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.128838524 u
Formula C21H24ClN5O3S
InChI InChI=1S/C21H24ClN5O3S/c1-3-29-18-10-9-15(13-19(18)30-4-2)11-12-23-20(28)14-31-21-24-25-26-27(21)17-8-6-5-7-16(17)22/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,28)
InChIKey ILISNTZGVYQNTO-UHFFFAOYSA-N
Molecular Weight 461.968 g/mol
SMILES C=1C=CC(N2C(=NN=N2)SCC(=O)NCCC2=CC(OCC)=C(C=C2)OCC)=C(Cl)C1