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2-chloro-6-methoxy-4-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenyl 4-(acetylamino)benzenesulfonate

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2-chloro-6-methoxy-4-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenyl 4-(acetylamino)benzenesulfonate
SpectraBase Compound ID 2dxS0SNorQ7
InChI InChI=1S/C25H18ClN3O6S2/c1-14(30)27-16-7-9-17(10-8-16)37(32,33)35-23-18(26)11-15(12-21(23)34-2)13-22-24(31)29-20-6-4-3-5-19(20)28-25(29)36-22/h3-13H,1-2H3,(H,27,30)/b22-13-
InChIKey QHXLTHUTIPJGCL-XKZIYDEJSA-N
Mol Weight 556.01 g/mol
Molecular Formula C25H18ClN3O6S2
Exact Mass 555.032555 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 92sFSUd9evQ
Name 2-chloro-6-methoxy-4-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenyl 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/C25H18ClN3O6S2/c1-14(30)27-16-7-9-17(10-8-16)37(32,33)35-23-18(26)11-15(12-21(23)34-2)13-22-24(31)29-20-6-4-3-5-19(20)28-25(29)36-22/h3-13H,1-2H3,(H,27,30)/b22-13-
InChIKey QHXLTHUTIPJGCL-XKZIYDEJSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11952
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: 1003410; UBI_ID: UBI-011955
Synonyms 2-chloro-6-methoxy-4-[(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenyl 4-(acetylamino)benzenesulfonate
Temperature 318 °C