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4-{[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino}-4-oxobutanoic acid
SpectraBase Compound ID 50678JyIEfZ
InChI InChI=1S/C13H13N3O4S/c1-20-9-4-2-8(3-5-9)12-15-16-13(21-12)14-10(17)6-7-11(18)19/h2-5H,6-7H2,1H3,(H,18,19)(H,14,16,17)
InChIKey LNOLMRIBNFXPON-UHFFFAOYSA-N
Mol Weight 307.32 g/mol
Molecular Formula C13H13N3O4S
Exact Mass 307.062677 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A5HcmOf5LDL
Name 4-{[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]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/C13H13N3O4S/c1-20-9-4-2-8(3-5-9)12-15-16-13(21-12)14-10(17)6-7-11(18)19/h2-5H,6-7H2,1H3,(H,18,19)(H,14,16,17)
InChIKey LNOLMRIBNFXPON-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29574
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: 1003679; SBI_ID: SBI-029578
Temperature 308 °C