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(3R,5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-2-oxolanone
SpectraBase Compound ID 4JmTV2ekfBM
InChI InChI=1S/C18H16O4/c1-18(13-7-8-15-16(9-13)21-11-20-15)10-14(17(19)22-18)12-5-3-2-4-6-12/h2-9,14H,10-11H2,1H3/t14-,18+/m1/s1
InChIKey XLVQWWQAOVRFNH-KDOFPFPSSA-N
Mol Weight 296.32 g/mol
Molecular Formula C18H16O4
Exact Mass 296.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Gun3COzzei
Name (3R,5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-2-oxolanone
Alternate Name(s) (3R,5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-oxolan-2-one (3R,5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-tetrahydrofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O4
InChI InChI=1S/C18H16O4/c1-18(13-7-8-15-16(9-13)21-11-20-15)10-14(17(19)22-18)12-5-3-2-4-6-12/h2-9,14H,10-11H2,1H3/t14-,18+/m1/s1
InChIKey XLVQWWQAOVRFNH-KDOFPFPSSA-N
Molecular Weight 296.322 g/mol
SMILES C1(O[C@@](c2cc3OCOc3cc2)(C)C[C@@]1(c1ccccc1)[H])=O
SPLASH splash10-0a4j-3940000000-761ab44c08d65379f820
Source of Spectrum J-66-3962-41
Wiley ID 1535296