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4-[(1E)-N-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)ethanehydrazonoyl]phenyl acetate
SpectraBase Compound ID 5dg80G1Btm2
InChI InChI=1S/C29H29N5O6S/c1-18(20-11-13-23(14-12-20)40-19(2)35)30-31-26(36)17-41-29-33-32-28(34(29)22-9-7-6-8-10-22)21-15-24(37-3)27(39-5)25(16-21)38-4/h6-16H,17H2,1-5H3,(H,31,36)/b30-18+
InChIKey GPKCKXLBTIEDJQ-UXHLAJHPSA-N
Mol Weight 575.64 g/mol
Molecular Formula C29H29N5O6S
Exact Mass 575.183855 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1AL9Y1yvIYT
Name 4-[(1E)-N-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)ethanehydrazonoyl]phenyl acetate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H29N5O6S/c1-18(20-11-13-23(14-12-20)40-19(2)35)30-31-26(36)17-41-29-33-32-28(34(29)22-9-7-6-8-10-22)21-15-24(37-3)27(39-5)25(16-21)38-4/h6-16H,17H2,1-5H3,(H,31,36)/b30-18+
InChIKey GPKCKXLBTIEDJQ-UXHLAJHPSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16389
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D23632; Labnumber: GRES-01246; SBI_ID: SBI-016392
Synonyms 4-[N-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)ethanehydrazonoyl]phenyl acetate
Temperature 315 °C