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4-[((2Z)-3-(2-methoxy-5-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene)amino]-4-oxobutanoic acid

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4-[((2Z)-3-(2-methoxy-5-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene)amino]-4-oxobutanoic acid
SpectraBase Compound ID K29zETqm8pH
InChI InChI=1S/C17H20N2O6S2/c1-10-3-4-13(25-2)11(7-10)19-12-8-27(23,24)9-14(12)26-17(19)18-15(20)5-6-16(21)22/h3-4,7,12,14H,5-6,8-9H2,1-2H3,(H,21,22)/b18-17-
InChIKey IRLJJDBCLKVADP-ZCXUNETKSA-N
Mol Weight 412.48 g/mol
Molecular Formula C17H20N2O6S2
Exact Mass 412.076279 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4KJ9qqUr4A1
Name 4-[((2Z)-3-(2-methoxy-5-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene)amino]-4-oxobutanoic acid
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/C17H20N2O6S2/c1-10-3-4-13(25-2)11(7-10)19-12-8-27(23,24)9-14(12)26-17(19)18-15(20)5-6-16(21)22/h3-4,7,12,14H,5-6,8-9H2,1-2H3,(H,21,22)/b18-17-
InChIKey IRLJJDBCLKVADP-ZCXUNETKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11030
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: E04772; Labnumber: ExZader-0280; SBI_ID: SBI-011033
Synonyms 4-[(3-(2-methoxy-5-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene)amino]-4-oxobutanoic acid
Temperature 318 °C