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6-(BENZOTRIAZOL-1-YL)-2,3-EPOXY-3-METHYL-4-HEXYNE
SpectraBase Compound ID 4P2GmjhDsoT
InChI InChI=1S/C13H13N3O/c1-10-13(2,17-10)8-5-9-16-12-7-4-3-6-11(12)14-15-16/h3-4,6-7,10H,9H2,1-2H3
InChIKey DUQJMKWCJUXWSX-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 1Nu5T1qniCe
Name 6-(BENZOTRIAZOL-1-YL)-2,3-EPOXY-3-METHYL-4-HEXYNE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13N3O
InChI InChI=1S/C13H13N3O/c1-10-13(2,17-10)8-5-9-16-12-7-4-3-6-11(12)14-15-16/h3-4,6-7,10H,9H2,1-2H3
InChIKey DUQJMKWCJUXWSX-UHFFFAOYSA-N
Literature Reference Author A.R.KATRITZKY,J.LI
Literature Reference Citation J.ORG.CHEM.,60,638(1995)
Literature Reference DOI 10.1021/jo00108a028
Molecular Weight 227.266 g/mol
Solvent CDCl3
Source File Reference UWRU3246