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SAVININ

View entire compound with spectra: 5 NMR, and 2 MS (GC)

SAVININ
SpectraBase Compound ID 3nCFTfzs86Y
InChI InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6+
InChIKey CMJGAYUQSLJSCR-GIDUJCDVSA-N
Mol Weight 352.34 g/mol
Molecular Formula C20H16O6
Exact Mass 352.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wFXR4RJrBp
Name Racemic Savinin [ 2-[(3,4-Methylenedioxy)benzylidene]-3-[(3,4-methylenedioxy)benzyl]-.gamma.-butyrolactone isomer]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O6
InChI InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6+
InChIKey CMJGAYUQSLJSCR-GIDUJCDVSA-N
Molecular Weight 352.342 g/mol
SMILES C1(\C(C(CO1)Cc1cc2OCOc2cc1)=C\c1cc2OCOc2cc1)=O
SPLASH splash10-000i-3900000000-c27f74213791fccaddb5
Source of Spectrum SO-0-1065-5
Synonyms Savinin (3E)-4-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylidene)-2-oxolanone (3E)-4-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylene)tetrahydrofuran-2-one (3E)-4-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylidene)oxolan-2-one
Wiley ID 874817