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5-(4-(PROPIN-3-YL)-OXY-[1,2,5]-THIADIAZOL-3-YL)-3-METHYL-1,2,3,4-TETRAHYDROPYRIMIDINE-OXALATE-SALT
SpectraBase Compound ID 9ABZaAnsOqz
InChI InChI=1S/C10H12N4OS.C2H2O4/c1-3-4-15-10-9(12-16-13-10)8-5-11-7-14(2)6-8;3-1(4)2(5)6/h1,5,11H,4,6-7H2,2H3;(H,3,4)(H,5,6)
InChIKey BRJJGTWJCPZBFG-UHFFFAOYSA-N
Mol Weight 326.33 g/mol
Molecular Formula C12H14N4O5S
Exact Mass 326.068491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ag4hqQT1QMZ
Name 5-(4-(PROPIN-3-YL)-OXY-[1,2,5]-THIADIAZOL-3-YL)-3-METHYL-1,2,3,4-TETRAHYDROPYRIMIDINE-OXALATE-SALT
Compound Number 8D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14N4O5S
InChI InChI=1S/C10H12N4OS.C2H2O4/c1-3-4-15-10-9(12-16-13-10)8-5-11-7-14(2)6-8;3-1(4)2(5)6/h1,5,11H,4,6-7H2,2H3;(H,3,4)(H,5,6)
InChIKey BRJJGTWJCPZBFG-UHFFFAOYSA-N
Literature Reference Author J.G.PARK,M.J.LEE,J.Y.KONG,M.H.JUNG
Literature Reference Citation ARCH.PHARM.,333,113(2000)
Literature Reference DOI 10.1002/(sici)1521-4184(20005)333:5<113::aid-ardp113>3.3.co;2-0
Molecular Weight 326.327 g/mol
Solvent DMSO-D6