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Isovanillic acid, o-(isopropyloxycarbonyl)-

View entire compound with spectra: 1 FTIR

Isovanillic acid, o-(isopropyloxycarbonyl)-
SpectraBase Compound ID 7ysycZy3lU1
InChI InChI=1S/C12H14O6/c1-7(2)17-12(15)18-10-6-8(11(13)14)4-5-9(10)16-3/h4-7H,1-3H3,(H,13,14)
InChIKey RJHBOHGPEASDFJ-UHFFFAOYSA-N
Mol Weight 254.24 g/mol
Molecular Formula C12H14O6
Exact Mass 254.079038 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LOn6OZtvVYT
Name Isovanillic acid, o-(isopropyloxycarbonyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.079038165 u
Formula C12H14O6
InChI InChI=1S/C12H14O6/c1-7(2)17-12(15)18-10-6-8(11(13)14)4-5-9(10)16-3/h4-7H,1-3H3,(H,13,14)
InChIKey RJHBOHGPEASDFJ-UHFFFAOYSA-N
Molecular Weight 254.238 g/mol
SMILES C(C1=CC=C(C(=C1)OC(OC(C)C)=O)OC)(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928307