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(3S,5S)-5-(1,3-benzodioxol-5-yl)-3-ethyl-5-methyl-2-oxolanone
SpectraBase Compound ID 9pTmP349hR5
InChI InChI=1S/C14H16O4/c1-3-9-7-14(2,18-13(9)15)10-4-5-11-12(6-10)17-8-16-11/h4-6,9H,3,7-8H2,1-2H3/t9-,14-/m0/s1
InChIKey PRKYMNGWFXOCDT-XPTSAGLGSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1cCKT09oTQ
Name (3S,5S)-5-(1,3-benzodioxol-5-yl)-3-ethyl-5-methyl-2-oxolanone
Alternate Name(s) (3S,5S)-5-(1,3-benzodioxol-5-yl)-3-ethyl-5-methyl-oxolan-2-one (3S,5S)-5-(1,3-benzodioxol-5-yl)-3-ethyl-5-methyl-tetrahydrofuran-2-one
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Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-3-9-7-14(2,18-13(9)15)10-4-5-11-12(6-10)17-8-16-11/h4-6,9H,3,7-8H2,1-2H3/t9-,14-/m0/s1
InChIKey PRKYMNGWFXOCDT-XPTSAGLGSA-N
Molecular Weight 248.278 g/mol
SMILES [C@]1(OC(=O)[C@](C1)(CC)[H])(c1cc2OCOc2cc1)C
SPLASH splash10-000t-0390000000-7bf19283419c0df9910e
Source of Spectrum J-66-3962-40
Wiley ID 1535298