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Methyl piperonylate

View entire compound with spectra: 1 NMR, and 5 MS (GC)

Methyl piperonylate
SpectraBase Compound ID CupI8iDhto2
InChI InChI=1S/C9H8O4/c1-11-9(10)6-2-3-7-8(4-6)13-5-12-7/h2-4H,5H2,1H3
InChIKey QCHGUEIECOASJU-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbArnvdEuA0
Name Methyl piperonylate
CAS Registry Number 326-56-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c1-11-9(10)6-2-3-7-8(4-6)13-5-12-7/h2-4H,5H2,1H3
InChIKey QCHGUEIECOASJU-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol701552r
Molecular Weight 180.159 g/mol
SMILES c1c(ccc2OCOc12)C(=O)OC
SPLASH splash10-02hd-6900000000-a3d4e653711bc8cb7641
Source of Spectrum A1-9-3683/SMS13-arb4
Synonyms Methyl 3,4-methylenedioxybenzoate Methyl benzo[d][1,3]dioxole-5-carboxylate Piperonylic acid, methyl ester Methyl 1,3-benzodioxole-5-carboxylate 1,3-Benzodioxole-5-carboxylic acid methyl ester
Wiley ID 1758587