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(3S,4aR,8aR)-3-Furan-3-yl-6-methyl-3,4,4a,7,8,8a-hexahydro-isochromen-1-one
SpectraBase Compound ID BwV48CHkT63
InChI InChI=1S/C14H16O3/c1-9-2-3-12-11(6-9)7-13(17-14(12)15)10-4-5-16-8-10/h4-6,8,11-13H,2-3,7H2,1H3/t11-,12+,13-/m0/s1
InChIKey OQIDIWJYOGMDBX-XQQFMLRXSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45iTrtoPs8
Name (3S,4aR,8aR)-3-Furan-3-yl-6-methyl-3,4,4a,7,8,8a-hexahydro-isochromen-1-one
Alternate Name(s) 6-Methyl-3-(fur-3-yl)-2-oxaoctahydronaphthalen-1-one (3S,4aR,8aR)-3-(furan-3-yl)-6-methyl-3,4,4a,7,8,8a-hexahydro-1H-isochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-9-2-3-12-11(6-9)7-13(17-14(12)15)10-4-5-16-8-10/h4-6,8,11-13H,2-3,7H2,1H3/t11-,12+,13-/m0/s1
InChIKey OQIDIWJYOGMDBX-XQQFMLRXSA-N
Molecular Weight 232.279 g/mol
SMILES C1(O[C@](c2cocc2)(C[C@]2([C@]1(CCC(C)=C2)[H])[H])[H])=O
SPLASH splash10-052b-4900000000-b61e3b95ce65c91cc7d5
Source of Spectrum U1-2014-4086-6a
Wiley ID 1740762