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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KayYf0Yvq1F
Name 3,5A,9-TRIMETHYL-3A,5,5A,9B-TETRAHYDRO-3H,4H-NAPHTHO[1,2-b]FURAN-2,8-DIONE
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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
Molecular Weight 246.1251
SMILES C=1C(=O)C(C)=C2C(C)(CCC3C2OC(=O)C3C)C1
SPLASH splash10-00dv-6920000000-19b0c2e8b822bb39fa07
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany