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acetic acid, [[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(acetyloxy)-3,5-dimethoxyphenyl]methylidene]hydrazide

View entire compound with spectra: 2 NMR

acetic acid, [[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(acetyloxy)-3,5-dimethoxyphenyl]methylidene]hydrazide
SpectraBase Compound ID A2GztMBFGDw
InChI InChI=1S/C30H31N5O8S/c1-18(36)43-28-22(38-2)12-19(13-23(28)39-3)16-31-32-26(37)17-44-30-34-33-29(35(30)21-10-8-7-9-11-21)20-14-24(40-4)27(42-6)25(15-20)41-5/h7-16H,17H2,1-6H3,(H,32,37)/b31-16+
InChIKey DWHRLUYLDCRTRN-WCMJOSRZSA-N
Mol Weight 621.67 g/mol
Molecular Formula C30H31N5O8S
Exact Mass 621.189334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G9myfxk97hh
Name Acetic acid, [[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(acetyloxy)-3,5-dimethoxyphenyl]methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 621.189334144 u
Formula C30H31N5O8S
InChI InChI=1S/C30H31N5O8S/c1-18(36)43-28-22(38-2)12-19(13-23(28)39-3)16-31-32-26(37)17-44-30-34-33-29(35(30)21-10-8-7-9-11-21)20-14-24(40-4)27(42-6)25(15-20)41-5/h7-16H,17H2,1-6H3,(H,32,37)/b31-16+
InChIKey DWHRLUYLDCRTRN-WCMJOSRZSA-N
Molecular Weight 621.665 g/mol
SMILES N(\N=C\C1=CC(OC)=C(C(=C1)OC)OC(=O)C)C(CSC=1N(C(=NN1)C1=CC(OC)=C(C(=C1)OC)OC)C1=CC=CC=C1)=O