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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 FnwtjDgV3zg
Name 3,5A,9-TRIMETHYL-3A,5,5A,9B-TETRAHYDRO-3H,4H-NAPHTHO[1,2-b]FURAN-2,8-DIONE
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
Molecular Weight 246.1251
SMILES C1(=O)C(C)=C2C3OC(=O)C(C)C3CCC2(C)C=C1
SPLASH splash10-0002-4930000000-0eb66a96acaa39ec0770
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany