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XJXWUHYQJVTNFN-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

XJXWUHYQJVTNFN-UHFFFAOYSA-N
SpectraBase Compound ID 90crtnYfTdF
InChI InChI=1S/C13H13N3O/c1-10-2-4-12(5-3-10)15-13(16-17)11-6-8-14-9-7-11/h2-9,17H,1H3,(H,15,16)
InChIKey XJXWUHYQJVTNFN-UHFFFAOYSA-N
Mol Weight 227.27 g/mol
Molecular Formula C13H13N3O
Exact Mass 227.105862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JMtizt6Hcib
Name XJXWUHYQJVTNFN-UHFFFAOYSA-N
Compound Number 1F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12N3O
InChI InChI=1S/C13H13N3O/c1-10-2-4-12(5-3-10)15-13(16-17)11-6-8-14-9-7-11/h2-9,17H,1H3,(H,15,16)
InChIKey XJXWUHYQJVTNFN-UHFFFAOYSA-N
Literature Reference Author Y.DUERUEST
Literature Reference Citation MAGN.RES.CHEM.,36,878(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(1998110)36:11<878::aid-omr373>3.3.co;2-u
Molecular Weight 226.258 g/mol
Solvent CDCl3
Source File Reference UWCS24734