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5,6,6a,7,9a,9b-Hexahydro-7-oxo-6a,8,9a-trimethyl-4H-1,2,3-triazolo(4,5,1-ij)quinoline
SpectraBase Compound ID LDYIQWzKEwg
InChI InChI=1S/C12H17N3O/c1-8-7-12(3)10-11(2,9(8)16)5-4-6-15(10)14-13-12/h7,10H,4-6H2,1-3H3
InChIKey ZMUQRYGLFZPZCX-UHFFFAOYSA-N
Mol Weight 219.29 g/mol
Molecular Formula C12H17N3O
Exact Mass 219.137162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KCGmu106KyJ
Name 5,6,6a,7,9a,9b-Hexahydro-7-oxo-6a,8,9a-trimethyl-4H-1,2,3-triazolo(4,5,1-ij)quinoline
CAS Registry Number 85202-89-7
Comments isomer 1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H17N3O
InChI InChI=1S/C12H17N3O/c1-8-7-12(3)10-11(2,9(8)16)5-4-6-15(10)14-13-12/h7,10H,4-6H2,1-3H3
InChIKey ZMUQRYGLFZPZCX-UHFFFAOYSA-N
Instrument Name Varian XL-200
Literature Reference A.G. Schultz, J.P. Dittami, S.U.Myong, J. Am. Chem. Soc. 105, 3273 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3