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2-(1,3-Benzodioxol-5-ylmethyl)-1-(2-methyl-2-propenyl)-3-oxo-4-isoindolinecarboxylic acid
SpectraBase Compound ID DvLVLmlAlSD
InChI InChI=1S/C21H19NO5/c1-12(2)8-16-14-4-3-5-15(21(24)25)19(14)20(23)22(16)10-13-6-7-17-18(9-13)27-11-26-17/h3-7,9,16H,1,8,10-11H2,2H3,(H,24,25)
InChIKey KHOFUGALTMEXCA-UHFFFAOYSA-N
Mol Weight 365.39 g/mol
Molecular Formula C21H19NO5
Exact Mass 365.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvX0Gh8qe2a
Name 2-(1,3-Benzodioxol-5-ylmethyl)-1-(2-methyl-2-propenyl)-3-oxo-4-isoindolinecarboxylic acid
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Formula C21H19NO5
InChI InChI=1S/C21H19NO5/c1-12(2)8-16-14-4-3-5-15(21(24)25)19(14)20(23)22(16)10-13-6-7-17-18(9-13)27-11-26-17/h3-7,9,16H,1,8,10-11H2,2H3,(H,24,25)
InChIKey KHOFUGALTMEXCA-UHFFFAOYSA-N
Molecular Weight 365.385 g/mol
SMILES OC(=O)c1cccc2c1C(N(C2CC(=C)C)Cc1ccc2c(c1)OCO2)=O
SPLASH splash10-000i-3901000000-d9e16dfbfea2f77e8e4f
Synonyms 2-Benzo[1,3]dioxol-5-ylmethyl-1-(2-methyl-allyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
Wiley ID 1444907