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4a-.alpha.,7-.alpha.,7a-.alpha.-Nepetalactone
SpectraBase Compound ID DoSkV3OabHY
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/t6-,8+,9+/m0/s1
InChIKey ZDKZHVNKFOXMND-NBEYISGCSA-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 BWs8EtO2dXg
Name 4A-ALPHA,7-ALPHA,7A-ALPHA-NEPETALACTONE
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/t6-,8+,9+/m0/s1
InChIKey ZDKZHVNKFOXMND-NBEYISGCSA-N
Literature Reference Author E.KALPOUTZAKIS,N.ALIGIANNIS,A.MENTIS,S.MITAKU,C.CHARVALA
Literature Reference Citation PLANTA.MED.,67,880(2001)
Literature Reference DOI 10.1055/s-2001-18851
Molecular Weight 166.220 g/mol
Solvent CDCl3
Source File Reference UIAP1649