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Butyl-3,4-methylenedioxy benzoate

View entire compound with spectra: 2 MS (GC)

Butyl-3,4-methylenedioxy benzoate
SpectraBase Compound ID FeEtpRWrDU4
InChI InChI=1S/C12H14O4/c1-2-3-6-14-12(13)9-4-5-10-11(7-9)16-8-15-10/h4-5,7H,2-3,6,8H2,1H3
InChIKey XMLIMVGVGVNEHF-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 GMdLVhkHqCO
Name Butyl benzo[d][1,3]dioxole-5-carboxylate
Alternate Name(s) 1,3-Benzodioxole-5-carboxylic acid butyl ester Butyl 1,3-benzodioxole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-2-3-6-14-12(13)9-4-5-10-11(7-9)16-8-15-10/h4-5,7H,2-3,6,8H2,1H3
InChIKey XMLIMVGVGVNEHF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200606044
Molecular Weight 222.240 g/mol
SMILES C1Oc2c(O1)cc(cc2)C(=O)OCCCC
SPLASH splash10-014j-0910000000-01b7b0cf30fb5041b424
Source of Spectrum ASC-348-1255/SM5-5_2
Wiley ID 1764915