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5-(4-(4-CHLOROBENZYL)-OXY-[1,2,5]-THIADIAZOL-3-YL)-3-METHYL-1,2,3,4-TETRAHYDROPYRIMIDINE-OXALATE-SALT
SpectraBase Compound ID DtQnOzjmBG
InChI InChI=1S/C14H15ClN4OS.C2H2O4/c1-19-7-11(6-16-9-19)13-14(18-21-17-13)20-8-10-2-4-12(15)5-3-10;3-1(4)2(5)6/h2-6,16H,7-9H2,1H3;(H,3,4)(H,5,6)
InChIKey AISCGCBAPPBWMH-UHFFFAOYSA-N
Mol Weight 412.85 g/mol
Molecular Formula C16H17ClN4O5S
Exact Mass 412.060819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSjEhJejDQp
Name 5-(4-(4-CHLOROBENZYL)-OXY-[1,2,5]-THIADIAZOL-3-YL)-3-METHYL-1,2,3,4-TETRAHYDROPYRIMIDINE-OXALATE-SALT
Compound Number 8J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17ClN4O5S
InChI InChI=1S/C14H15ClN4OS.C2H2O4/c1-19-7-11(6-16-9-19)13-14(18-21-17-13)20-8-10-2-4-12(15)5-3-10;3-1(4)2(5)6/h2-6,16H,7-9H2,1H3;(H,3,4)(H,5,6)
InChIKey AISCGCBAPPBWMH-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 412.848 g/mol
Solvent DMSO-D6