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3-(3-Chloro-5-isoxazolyl)propanoic acid

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3-(3-Chloro-5-isoxazolyl)propanoic acid
SpectraBase Compound ID CgLgnMxZXi8
InChI InChI=1S/C6H6ClNO3/c7-5-3-4(11-8-5)1-2-6(9)10/h3H,1-2H2,(H,9,10)
InChIKey ZGQBVKLPCMHTEI-UHFFFAOYSA-N
Mol Weight 175.57 g/mol
Molecular Formula C6H6ClNO3
Exact Mass 175.003621 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4zbi652HHwn
Name 5-isoxazolepropanoic acid, 3-chloro-
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/C6H6ClNO3/c7-5-3-4(11-8-5)1-2-6(9)10/h3H,1-2H2,(H,9,10)
InChIKey ZGQBVKLPCMHTEI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_8300
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: ZERO/005084; IOH_ID: IOH-015305