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3.beta.,3a.beta.,6a.beta.-Nepetolactone
SpectraBase Compound ID 8UoPhQlXmUy
InChI InChI=1S/C9H14O2/c1-5-3-4-7-6(2)11-9(10)8(5)7/h5-8H,3-4H2,1-2H3
InChIKey BVOMHKKJGKZXNL-UHFFFAOYSA-N
Mol Weight 154.21 g/mol
Molecular Formula C9H14O2
Exact Mass 154.09938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8spN5k0zNrt
Name 3-BETA,3A-BETA,6A-BETA-NEPETOLACTONE
CAS Registry Number 58845-57-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H14O2
InChI InChI=1S/C9H14O2/c1-5-3-4-7-6(2)11-9(10)8(5)7/h5-8H,3-4H2,1-2H3
InChIKey BVOMHKKJGKZXNL-UHFFFAOYSA-N
Literature Reference Author E.J.EISENBRAUN,C.E.BROWNE,R.L.IRVIN-WILLIS,D.J.MCGURK,E.L.EL IEL,D.L.HARRIS
Literature Reference Citation J.ORG.CHEM.,45,3811(1980)
Literature Reference DOI 10.1021/jo01307a016
Molecular Weight 154.209 g/mol
Solvent CDCl3
Source File Reference UNIW21258