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Vanillin isobutyrate

View entire compound with spectra: 2 NMR, 4 FTIR, and 1 MS (GC)

Vanillin isobutyrate
SpectraBase Compound ID 5FcB99CUQh7
InChI InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3
InChIKey BGKAKRUFBSTALK-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 3YN2kqTm1fH
Name Vanillin isobutyrate
Source of Sample Aldrich
Catalog Number W375403
CAS Registry Number 20665-85-4
Classification Aromatic esters and lactones
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3
InChIKey BGKAKRUFBSTALK-UHFFFAOYSA-N
Purity >=98%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Neat
Wiley ID SIAL_FTIR_1_11244