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4-((E)-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazono}methyl)-2-chloro-6-methoxyphenyl 4-(acetylamino)benzenesulfonate

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4-((E)-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazono}methyl)-2-chloro-6-methoxyphenyl 4-(acetylamino)benzenesulfonate
SpectraBase Compound ID GRMpZOOE1Kn
InChI InChI=1S/C25H21ClN4O6S3/c1-15(31)28-17-7-9-18(10-8-17)39(33,34)36-24-19(26)11-16(12-21(24)35-2)13-27-30-23(32)14-37-25-29-20-5-3-4-6-22(20)38-25/h3-13H,14H2,1-2H3,(H,28,31)(H,30,32)/b27-13+
InChIKey MUTRIPRAZGOMQC-UVHMKAGCSA-N
Mol Weight 605.1 g/mol
Molecular Formula C25H21ClN4O6S3
Exact Mass 604.031176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FJ0WCiSfHXO
Name 4-((E)-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazono}methyl)-2-chloro-6-methoxyphenyl 4-(acetylamino)benzenesulfonate
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/C25H21ClN4O6S3/c1-15(31)28-17-7-9-18(10-8-17)39(33,34)36-24-19(26)11-16(12-21(24)35-2)13-27-30-23(32)14-37-25-29-20-5-3-4-6-22(20)38-25/h3-13H,14H2,1-2H3,(H,28,31)(H,30,32)/b27-13+
InChIKey MUTRIPRAZGOMQC-UVHMKAGCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11956
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: 1003829; UBI_ID: UBI-011959
Synonyms 4-({[(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazono}methyl)-2-chloro-6-methoxyphenyl 4-(acetylamino)benzenesulfonate
Temperature 318 °C