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5.alpha.,7.alpha.,10.beta.H-3-Patchoulen-2-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5.alpha.,7.alpha.,10.beta.H-3-Patchoulen-2-one
SpectraBase Compound ID 94pRdFbAeKu
InChI InChI=1S/C15H22O/c1-9-7-13(16)15-10(2)5-6-11(8-12(9)15)14(15,3)4/h7,10-12H,5-6,8H2,1-4H3/t10-,11-,12+,15+/m1/s1
InChIKey BSDFKVHDDFHAFR-FJJYHAOUSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fu7coxRh0jW
Name 5-ALPHA,7-ALPHA,10-BETA-H-3-PATCHOULEN-2-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-9-7-13(16)15-10(2)5-6-11(8-12(9)15)14(15,3)4/h7,10-12H,5-6,8H2,1-4H3/t10-,11-,12+,15+/m1/s1
InChIKey BSDFKVHDDFHAFR-FJJYHAOUSA-N
Literature Reference Author A.B.AGUILAR-GUADARRAMA,M.Y.RIOS
Literature Reference Citation J.NAT.PROD.,67,914(2004)
Literature Reference DOI 10.1021/np030485f
Molecular Weight 218.339 g/mol
Solvent CDCl3
Source File Reference UWMZ5599