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4-({[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}methyl)benzoic acid
SpectraBase Compound ID 3O23BOHlUg5
InChI InChI=1S/C17H14N2O4S/c20-15(18-9-11-5-7-12(8-6-11)16(21)22)10-24-17-19-13-3-1-2-4-14(13)23-17/h1-8H,9-10H2,(H,18,20)(H,21,22)
InChIKey KGYWLYKMHAZYFF-UHFFFAOYSA-N
Mol Weight 342.37 g/mol
Molecular Formula C17H14N2O4S
Exact Mass 342.067428 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8EJjjo3t17
Name 4-({[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}methyl)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/C17H14N2O4S/c20-15(18-9-11-5-7-12(8-6-11)16(21)22)10-24-17-19-13-3-1-2-4-14(13)23-17/h1-8H,9-10H2,(H,18,20)(H,21,22)
InChIKey KGYWLYKMHAZYFF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18213
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/8092366; Labnumber: TQ-0036; UZI_ID: UZI-018220
Temperature 308 °C