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BETA-SANTONINE

View entire compound with spectra: 12 NMR, and 13 MS (GC)

BETA-SANTONINE
SpectraBase Compound ID rq9pihyqH7
InChI InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3
InChIKey XJHDMGJURBVLLE-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F8qTJQtJwt6
Name ALPHA-SANTONINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3
InChIKey XJHDMGJURBVLLE-UHFFFAOYSA-N
Literature Reference Author P.S.PREGOSIN,E.W.RANDALL,T.B.H.MCMURRY
Literature Reference Citation J.CHEM.SOC.PERKIN-1,299(1972)
Literature Reference DOI 10.1039/p19720000299
Molecular Weight 246.306 g/mol
Solvent CDCl3:C6F6=95:5
Source File Reference UNIW18821