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5-(4-PENTYLOXY-[1,2,5]-THIADIAZOL-3-YL)-3-METHYL-1,2,3,4-TETRAHYDROPYRIMIDINE-OXALATE-SALT
SpectraBase Compound ID 8vCKKvpwY92
InChI InChI=1S/C12H20N4OS.C2H2O4/c1-3-4-5-6-17-12-11(14-18-15-12)10-7-13-9-16(2)8-10;3-1(4)2(5)6/h7,13H,3-6,8-9H2,1-2H3;(H,3,4)(H,5,6)
InChIKey HSFUQOQTCLCTFV-UHFFFAOYSA-N
Mol Weight 358.41 g/mol
Molecular Formula C14H22N4O5S
Exact Mass 358.131091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AAzQNXmwLmG
Name 5-(4-PENTYLOXY-[1,2,5]-THIADIAZOL-3-YL)-3-METHYL-1,2,3,4-TETRAHYDROPYRIMIDINE-OXALATE-SALT
Compound Number 8F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H22N4O5S
InChI InChI=1S/C12H20N4OS.C2H2O4/c1-3-4-5-6-17-12-11(14-18-15-12)10-7-13-9-16(2)8-10;3-1(4)2(5)6/h7,13H,3-6,8-9H2,1-2H3;(H,3,4)(H,5,6)
InChIKey HSFUQOQTCLCTFV-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 358.412 g/mol
Solvent DMSO-D6