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5-[((2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene)amino]-5-oxopentanoic acid
SpectraBase Compound ID 6XtO9KmHcwX
InChI InChI=1S/C17H20N2O5S2/c1-11-4-2-5-12(8-11)19-13-9-26(23,24)10-14(13)25-17(19)18-15(20)6-3-7-16(21)22/h2,4-5,8,13-14H,3,6-7,9-10H2,1H3,(H,21,22)/b18-17-
InChIKey QHHDSFQRQODTSD-ZCXUNETKSA-N
Mol Weight 396.48 g/mol
Molecular Formula C17H20N2O5S2
Exact Mass 396.081364 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L1AMEScAjMM
Name 5-[((2Z)-3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene)amino]-5-oxopentanoic 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/C17H20N2O5S2/c1-11-4-2-5-12(8-11)19-13-9-26(23,24)10-14(13)25-17(19)18-15(20)6-3-7-16(21)22/h2,4-5,8,13-14H,3,6-7,9-10H2,1H3,(H,21,22)/b18-17-
InChIKey QHHDSFQRQODTSD-ZCXUNETKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10187
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: D68925; Labnumber: ExZader-0102; SBI_ID: SBI-010190
Synonyms 5-[(3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene)amino]-5-oxopentanoic acid
Temperature 318 °C