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3-(2-thioxo-1,3-benzoxazol-3(2H)-yl)propanoic acid

View entire compound with spectra: 1 NMR

3-(2-thioxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
SpectraBase Compound ID 6oGOZ5BpbVJ
InChI InChI=1S/C10H9NO3S/c12-9(13)5-6-11-7-3-1-2-4-8(7)14-10(11)15/h1-4H,5-6H2,(H,12,13)
InChIKey QUSAZJGKDUUSPZ-UHFFFAOYSA-N
Mol Weight 223.25 g/mol
Molecular Formula C10H9NO3S
Exact Mass 223.030314 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8iNdpTDDz8H
Name 3-(2-thioxo-1,3-benzoxazol-3(2H)-yl)propanoic 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/C10H9NO3S/c12-9(13)5-6-11-7-3-1-2-4-8(7)14-10(11)15/h1-4H,5-6H2,(H,12,13)
InChIKey QUSAZJGKDUUSPZ-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15333
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: S07574; Labnumber: IBS4T28005; SBI_ID: SBI-015336
Temperature 306 °C