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4-(1,3-benzodioxol-5-yl)butanoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

4-(1,3-benzodioxol-5-yl)butanoic acid methyl ester
SpectraBase Compound ID LH9RQbAbyNW
InChI InChI=1S/C12H14O4/c1-14-12(13)4-2-3-9-5-6-10-11(7-9)16-8-15-10/h5-7H,2-4,8H2,1H3
InChIKey VHUABZULWQQCDI-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Uz1RuN0dNS
Name 4-(1,3-benzodioxol-5-yl)butanoic acid methyl ester
Alternate Name(s) 4-(1,3-benzodioxol-5-yl)butyric acid methyl ester Methyl 4-(1,3-benzodioxol-5-yl)butanoate
CAS Registry Number 119030-60-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-14-12(13)4-2-3-9-5-6-10-11(7-9)16-8-15-10/h5-7H,2-4,8H2,1H3
InChIKey VHUABZULWQQCDI-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES c12c(OCO2)ccc(c1)CCCC(=O)OC
SPLASH splash10-000b-1910000000-e1e3101837f9e3c99f6b
Source of Spectrum B-41-917-53
Wiley ID 1222256