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acetic acid, [[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]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-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazide
SpectraBase Compound ID 608smovmag8
InChI InChI=1S/C30H34N6O5S/c1-6-35(7-2)23-14-13-20(24(37)17-23)18-31-32-27(38)19-42-30-34-33-29(36(30)22-11-9-8-10-12-22)21-15-25(39-3)28(41-5)26(16-21)40-4/h8-18,37H,6-7,19H2,1-5H3,(H,32,38)/b31-18-
InChIKey OBZAMFRELSCURU-MNBJERMJSA-N
Mol Weight 590.7 g/mol
Molecular Formula C30H34N6O5S
Exact Mass 590.231139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B09srpfXasR
Name Acetic acid, [[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 590.231139388 u
Formula C30H34N6O5S
InChI InChI=1S/C30H34N6O5S/c1-6-35(7-2)23-14-13-20(24(37)17-23)18-31-32-27(38)19-42-30-34-33-29(36(30)22-11-9-8-10-12-22)21-15-25(39-3)28(41-5)26(16-21)40-4/h8-18,37H,6-7,19H2,1-5H3,(H,32,38)/b31-18-
InChIKey OBZAMFRELSCURU-MNBJERMJSA-N
Molecular Weight 590.699 g/mol
SMILES N(\N=C/C1=CC=C(C=C1O)N(CC)CC)C(CSC=1N(C(=NN1)C1=CC(OC)=C(C(=C1)OC)OC)C1=CC=CC=C1)=O