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3-[(2-Methyl-4-quinazolinyl)sulfanyl]propanoic acid
SpectraBase Compound ID ICyj1XJ3Rcm
InChI InChI=1S/C12H12N2O2S/c1-8-13-10-5-3-2-4-9(10)12(14-8)17-7-6-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)
InChIKey BWOVZKBKWYSBAR-UHFFFAOYSA-N
Mol Weight 248.3 g/mol
Molecular Formula C12H12N2O2S
Exact Mass 248.061949 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 80fHooZsPPe
Name 3-[(2-methyl-4-quinazolinyl)sulfanyl]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/C12H12N2O2S/c1-8-13-10-5-3-2-4-9(10)12(14-8)17-7-6-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)
InChIKey BWOVZKBKWYSBAR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2061
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: NMR/9312036; Labnumber: JSA-0000037