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2-(4'-N-Butylphenyl)-5-methoxy-1,2,4-triazolin-3-one
SpectraBase Compound ID GxVogbfKxqB
InChI InChI=1S/C13H17N3O2/c1-3-4-5-10-6-8-11(9-7-10)16-13(17)14-12(15-16)18-2/h6-9H,3-5H2,1-2H3,(H,14,15,17)
InChIKey HTLNSPDACHMKPY-UHFFFAOYSA-N
Mol Weight 247.3 g/mol
Molecular Formula C13H17N3O2
Exact Mass 247.132077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVk46Nh37il
Name 2-(4'-N-BUTYLPHENYL)-5-METHOXY-1,2,4-TRIAZOLIN-3-ONE
CAS Registry Number 81012-77-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17N3O2
InChI InChI=1S/C13H17N3O2/c1-3-4-5-10-6-8-11(9-7-10)16-13(17)14-12(15-16)18-2/h6-9H,3-5H2,1-2H3,(H,14,15,17)
InChIKey HTLNSPDACHMKPY-UHFFFAOYSA-N
Literature Reference Author S.S.JONES,D.B.STAIGER,D.F.CHODOSH
Literature Reference Citation J.ORG.CHEM.,47,1969(1982)
Literature Reference DOI 10.1021/jo00349a031
Molecular Weight 247.297 g/mol
Solvent DMSO-D6
Source File Reference UNIW18670