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4a.alpha.,7.alpha.,7a.beta.-Nepetalactone
SpectraBase Compound ID HY39C23tMF9
InChI InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3
InChIKey ZDKZHVNKFOXMND-UHFFFAOYSA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6oMFzEf8Rf8
Name 4A-ALPHA,7-ALPHA,7A-ALPHA-NEPETALACTONE
CAS Registry Number 21651-62-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14O2
InChI InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3
InChIKey ZDKZHVNKFOXMND-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 166.220 g/mol
Solvent CDCl3
Source File Reference UNIW21253