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3-(1,2,4-TRIAZOLO-[1,5-C]-QUINAZOLIN-2-YLTHIO)-PROPIONIC-ACID
SpectraBase Compound ID 9lC3NXhavsW
InChI InChI=1S/C12H10N4O2S/c17-10(18)5-6-19-12-14-11-8-3-1-2-4-9(8)13-7-16(11)15-12/h1-4,7H,5-6H2,(H,17,18)
InChIKey VWGKQWXOAIUCGG-UHFFFAOYSA-N
Mol Weight 274.3 g/mol
Molecular Formula C12H10N4O2S
Exact Mass 274.052447 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D7LWe61JaSR
Name 3-(1,2,4-TRIAZOLO-[1,5-C]-QUINAZOLIN-2-YLTHIO)-PROPIONIC-ACID
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H10N4O2S
InChI InChI=1S/C12H10N4O2S/c17-10(18)5-6-19-12-14-11-8-3-1-2-4-9(8)13-7-16(11)15-12/h1-4,7H,5-6H2,(H,17,18)
InChIKey VWGKQWXOAIUCGG-UHFFFAOYSA-N
Literature Reference Author L.ANTIPENKO,A.KARPENKO,S.KOVALENKO,A.KATSEV,E.KOMAROSKA-PORP KHNYAVETS,V.NOVIKOV,
Literature Reference Citation CHEM.PHARM.BULL.,57,580(2009)
Literature Reference DOI 10.1248/cpb.57.580
Molecular Weight 274.297 g/mol
Sample ID 2481
Solvent DMSO-D6