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(3S,4aR,8aS)-5,5-Dimethyl-3-(2-oxo-2,5-dihydrofuran-3-yl)-octahydroisochromen-1-one

View entire compound with spectra: 1 MS (GC)

(3S,4aR,8aS)-5,5-Dimethyl-3-(2-oxo-2,5-dihydrofuran-3-yl)-octahydroisochromen-1-one
SpectraBase Compound ID 3HAgpB9icMf
InChI InChI=1S/C15H20O4/c1-15(2)6-3-4-9-11(15)8-12(19-14(9)17)10-5-7-18-13(10)16/h5,9,11-12H,3-4,6-8H2,1-2H3/t9-,11+,12-/m0/s1
InChIKey VADBFQHSJMIAOI-WCQGTBRESA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DfJNB6T0Cf8
Name (3S,4aR,8aS)-5,5-Dimethyl-3-(2-oxo-2,5-dihydrofuran-3-yl)-octahydroisochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-15(2)6-3-4-9-11(15)8-12(19-14(9)17)10-5-7-18-13(10)16/h5,9,11-12H,3-4,6-8H2,1-2H3/t9-,11+,12-/m0/s1
InChIKey VADBFQHSJMIAOI-WCQGTBRESA-N
Literature Reference DOI 10.1002_1615-4169(200208)344_6-7_720
Molecular Weight 264.321 g/mol
SMILES [C@]1(OC([C@]2(CCCC([C@@]2(C1)[H])(C)C)[H])=O)(C=1C(OCC1)=O)[H]
SPLASH splash10-0r00-0910000000-9997dd27e939054e2700
Source of Spectrum ASC-344-725-17
Synonyms (3S,4aR,8aS)-5,5-dimethyl-3-(2-oxo-2,5-dihydrofuran-3-yl)octahydro-1H-isochromen-1-one
Wiley ID 1767305