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4-[(E)-({[5-(benzoylamino)-1,3,4-thiadiazol-2-yl]acetyl}hydrazono)methyl]-2-methoxyphenyl 4-methylbenzenesulfonate
SpectraBase Compound ID ClhUNYN9YGR
InChI InChI=1S/C26H23N5O6S2/c1-17-8-11-20(12-9-17)39(34,35)37-21-13-10-18(14-22(21)36-2)16-27-29-23(32)15-24-30-31-26(38-24)28-25(33)19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3,(H,29,32)(H,28,31,33)/b27-16+
InChIKey HPLJXQANSZSHGL-JVWAILMASA-N
Mol Weight 565.62 g/mol
Molecular Formula C26H23N5O6S2
Exact Mass 565.108976 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LZRb3SLOIYy
Name 4-[(E)-({[5-(benzoylamino)-1,3,4-thiadiazol-2-yl]acetyl}hydrazono)methyl]-2-methoxyphenyl 4-methylbenzenesulfonate
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/C26H23N5O6S2/c1-17-8-11-20(12-9-17)39(34,35)37-21-13-10-18(14-22(21)36-2)16-27-29-23(32)15-24-30-31-26(38-24)28-25(33)19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3,(H,29,32)(H,28,31,33)/b27-16+
InChIKey HPLJXQANSZSHGL-JVWAILMASA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7543
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: 127354; Labnumber: CEP2K-04116; VK_ID: VK-007547
Synonyms 4-[({[5-(benzoylamino)-1,3,4-thiadiazol-2-yl]acetyl}hydrazono)methyl]-2-methoxyphenyl 4-methylbenzenesulfonate
Temperature 315 °C