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3-(4-hexynoylamino)benzoic acid

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3-(4-hexynoylamino)benzoic acid
SpectraBase Compound ID J4ydfbIEuPb
InChI InChI=1S/C13H13NO3/c1-2-3-4-8-12(15)14-11-7-5-6-10(9-11)13(16)17/h5-7,9H,4,8H2,1H3,(H,14,15)(H,16,17)
InChIKey JWEKUSIKBDGEPU-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1AmktuDssXS
Name 3-(4-hexynoylamino)benzoic 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/C13H13NO3/c1-2-3-4-8-12(15)14-11-7-5-6-10(9-11)13(16)17/h5-7,9H,4,8H2,1H3,(H,14,15)(H,16,17)
InChIKey JWEKUSIKBDGEPU-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13553
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: UZI/9141731; UBI_ID: UBI-013556
Temperature 308 °C