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(3S,4aR,8aS)-3-Furan-3-yl-5,5-dimethyl-3,4,4a,5,8,8ahexahydroisochromen-1-one
SpectraBase Compound ID Kv2OlG5XuQN
InChI InChI=1S/C15H18O3/c1-15(2)6-3-4-11-12(15)8-13(18-14(11)16)10-5-7-17-9-10/h3,5-7,9,11-13H,4,8H2,1-2H3/t11-,12+,13-/m0/s1
InChIKey BOURKFCVRAATNG-XQQFMLRXSA-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 6O3VEYLMShb
Name (3S,4aR,8aS)-3-Furan-3-yl-5,5-dimethyl-3,4,4a,5,8,8ahexahydroisochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-15(2)6-3-4-11-12(15)8-13(18-14(11)16)10-5-7-17-9-10/h3,5-7,9,11-13H,4,8H2,1-2H3/t11-,12+,13-/m0/s1
InChIKey BOURKFCVRAATNG-XQQFMLRXSA-N
Literature Reference DOI 10.1002_1615-4169(200208)344_6-7_720
Molecular Weight 246.306 g/mol
SMILES [C@]1(OC([C@]2(CC=CC([C@@]2(C1)[H])(C)C)[H])=O)(c1cocc1)[H]
SPLASH splash10-052f-9620000000-2e08971ccf43c9548fb7
Source of Spectrum ASC-344-725-3
Synonyms (3S,4aR,8aS)-3-(furan-3-yl)-5,5-dimethyl-3,4,4a,5,8,8a-hexahydro-1H-isochromen-1-one (3S,4aR,8aS)-3-(3-furanyl)-5,5-dimethyl-4,4a,8,8a-tetrahydro-3H-2-benzopyran-1-one (3S,4aR,8aS)-3-(furan-3-yl)-5,5-dimethyl-4,4a,8,8a-tetrahydro-3H-isochromen-1-one
Wiley ID 1767308