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TRANS-CIS-NEPETALACTONE
SpectraBase Compound ID 9cox3eWnSR2
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-/m1/s1
InChIKey ZDKZHVNKFOXMND-BWVDBABLSA-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 gYhEh6s8ws
Name TRANS-CIS-NEPETALACTONE
Compound Number 3
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-/m1/s1
InChIKey ZDKZHVNKFOXMND-BWVDBABLSA-N
Literature Reference Author I.LIBLIKAS,E.M.SANTANGELO,J.SANDELL,P.BAECKSTROEM,M.SVENSSON ,U.JACOBSSON,C.R.UNE
Literature Reference Citation J.NAT.PROD.,68,886(2005)
Literature Reference DOI 10.1021/np049647d
Molecular Weight 166.220 g/mol
Solvent CDCl3
Source File Reference UWMZ10656