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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 8pDB8xaeKDJ
Name .alpha.-Santonin
CAS Registry Number 481-06-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Bruker HX-90
Literature Reference P.S. Pregosin, E.W. Randall, J. Chem. Soc. Perkin I 299 (1972).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3