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6-METHYL-4-PHENYLSULFANYL-1,4-DIHYDRO-PYRIMIDINE-5-CARBOXYLIC-ACID-ETHYLESTER;TAUTOMER-A

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6-METHYL-4-PHENYLSULFANYL-1,4-DIHYDRO-PYRIMIDINE-5-CARBOXYLIC-ACID-ETHYLESTER;TAUTOMER-A
SpectraBase Compound ID HEOPoLE8jet
InChI InChI=1S/C20H20N2O2S/c1-3-24-19(23)17-14(2)21-20(25-16-12-8-5-9-13-16)22-18(17)15-10-6-4-7-11-15/h4-13,18H,3H2,1-2H3,(H,21,22)
InChIKey HIPHRDDKBBFBNS-UHFFFAOYSA-N
Mol Weight 352.45 g/mol
Molecular Formula C20H20N2O2S
Exact Mass 352.124549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 70tIk0N4RP3
Name 6-METHYL-4-PHENYLSULFANYL-1,4-DIHYDRO-PYRIMIDINE-5-CARBOXYLIC-ACID-ETHYLESTER;TAUTOMER-A
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20N2O2S
InChI InChI=1S/C20H20N2O2S/c1-3-24-19(23)17-14(2)21-20(25-16-12-8-5-9-13-16)22-18(17)15-10-6-4-7-11-15/h4-13,18H,3H2,1-2H3,(H,21,22)
InChIKey HIPHRDDKBBFBNS-UHFFFAOYSA-N
Literature Reference Author A.LENGAR,C.O.KAPPE
Literature Reference Citation ORG.LETTERS,6,771(2004)
Literature Reference DOI 10.1021/ol036496h
Molecular Weight 352.451 g/mol
Sample ID 50241
Solvent CDCl3_OR_DMSO-D6