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

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N-[2-(3,4-diethoxyphenyl)ethyl]-2-[1-(4-iodophenyl)tetrazol-5-yl]sulfanyl-acetamide
SpectraBase Compound ID FV7xslss1P9
InChI InChI=1S/C21H24IN5O3S/c1-3-29-18-10-5-15(13-19(18)30-4-2)11-12-23-20(28)14-31-21-24-25-26-27(21)17-8-6-16(22)7-9-17/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,28)
InChIKey NMSJTLZMEJYNTJ-UHFFFAOYSA-N
Mol Weight 553.42 g/mol
Molecular Formula C21H24IN5O3S
Exact Mass 553.064456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JVpNkGt9uzG
Name N-[2-(3,4-Diethoxyphenyl)ethyl]-2-[1-(4-iodophenyl)tetrazol-5-yl]sulfanyl-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 553.064455824 u
Formula C21H24IN5O3S
InChI InChI=1S/C21H24IN5O3S/c1-3-29-18-10-5-15(13-19(18)30-4-2)11-12-23-20(28)14-31-21-24-25-26-27(21)17-8-6-16(22)7-9-17/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,28)
InChIKey NMSJTLZMEJYNTJ-UHFFFAOYSA-N
Molecular Weight 553.419 g/mol
SMILES CCOC1=CC=C(CCNC(=O)CSC2=NN=NN2C2=CC=C(I)C=C2)C=C1OCC