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2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide

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2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID CHo9pwzen48
InChI InChI=1S/C31H35N5O5S/c1-31(2,3)22-10-8-21(9-11-22)29-34-35-30(36(29)23-12-14-24(38-4)15-13-23)42-19-27(37)33-32-18-20-16-25(39-5)28(41-7)26(17-20)40-6/h8-18H,19H2,1-7H3,(H,33,37)/b32-18+
InChIKey UZCRTEVIHFLOIQ-KCSSXMTESA-N
Mol Weight 589.7 g/mol
Molecular Formula C31H35N5O5S
Exact Mass 589.23589 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CR0wh9lwsaI
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
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/C31H35N5O5S/c1-31(2,3)22-10-8-21(9-11-22)29-34-35-30(36(29)23-12-14-24(38-4)15-13-23)42-19-27(37)33-32-18-20-16-25(39-5)28(41-7)26(17-20)40-6/h8-18H,19H2,1-7H3,(H,33,37)/b32-18+
InChIKey UZCRTEVIHFLOIQ-KCSSXMTESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6679
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: D23931; Labnumber: GRES-01655; SBI_ID: SBI-006682
Synonyms 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Temperature 318 °C