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isobutyric acid, piperonyl ester

View entire compound with spectra: 7 NMR, 7 FTIR, 1 Raman, and 1 MS (GC)

isobutyric acid, piperonyl ester
SpectraBase Compound ID Lp1JLm3Yh5b
InChI InChI=1S/C12H14O4/c1-8(2)12(13)14-6-9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3
InChIKey RQULTIASPCVEFO-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3FdGGUi6QHG
Name Piperonyl isobutyrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W291307
Lot Number 04325DE
CAS Registry Number 5461-08-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-8(2)12(13)14-6-9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3
InChIKey RQULTIASPCVEFO-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
Purity >=98%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Isobutyric acid 3,4-methylenedioxybenzyl ester
Technique Between salts
Wiley ID SIAL_FF-FTIR_001182