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4-(1,3-benzodioxol-5-yl)butanoic acid ethyl ester
SpectraBase Compound ID Hymce7nan0d
InChI InChI=1S/C13H16O4/c1-2-15-13(14)5-3-4-10-6-7-11-12(8-10)17-9-16-11/h6-8H,2-5,9H2,1H3
InChIKey ZMHXUZMVXVTMTK-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoPR7putLpG
Name 4-(1,3-benzodioxol-5-yl)butanoic acid ethyl ester
Alternate Name(s) 4-(1,3-benzodioxol-5-yl)butyric acid ethyl ester Ethyl 4-(1,3-benzodioxol-5-yl)butanoate
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Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-2-15-13(14)5-3-4-10-6-7-11-12(8-10)17-9-16-11/h6-8H,2-5,9H2,1H3
InChIKey ZMHXUZMVXVTMTK-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C(CCCc1cc2c(cc1)OCO2)(=O)OCC
SPLASH splash10-000b-0910000000-4625634459bee0e746a3
Source of Spectrum F-55-6106-3
Wiley ID 837740