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(4R,5S)-5-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-oxolanone
SpectraBase Compound ID 8kOGIQgyUHs
InChI InChI=1S/C20H18O7/c21-19-7-14(9-22-8-12-1-3-15-17(5-12)25-10-23-15)20(27-19)13-2-4-16-18(6-13)26-11-24-16/h1-6,14,20H,7-11H2/t14-,20-/m1/s1
InChIKey PHFSVICYSLCBBR-JLTOFOAXSA-N
Mol Weight 370.36 g/mol
Molecular Formula C20H18O7
Exact Mass 370.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnQ6mQ4hZxI
Name (4R,5S)-5-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-oxolanone
Alternate Name(s) (4R,5S)-5-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethoxymethyl)oxolan-2-one (4R,5S)-5-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethoxymethyl)tetrahydrofuran-2-one (4R,5S)-5-(1,3-benzodioxol-5-yl)-4-(piperonyloxymethyl)tetrahydrofuran-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C20H18O7
InChI InChI=1S/C20H18O7/c21-19-7-14(9-22-8-12-1-3-15-17(5-12)25-10-23-15)20(27-19)13-2-4-16-18(6-13)26-11-24-16/h1-6,14,20H,7-11H2/t14-,20-/m1/s1
InChIKey PHFSVICYSLCBBR-JLTOFOAXSA-N
Molecular Weight 370.357 g/mol
SMILES [C@]1(OC(=O)C[C@@]1(COCc1cc2OCOc2cc1)[H])(c1cc2OCOc2cc1)[H]
SPLASH splash10-000i-0904000000-2ca7e426c0c927670f3a
Source of Spectrum J-66-6725-23
Wiley ID 1535966