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Methyl 2-acetyl-3-hydroxy-5-methylbenzoate

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

Methyl 2-acetyl-3-hydroxy-5-methylbenzoate
SpectraBase Compound ID CdDXqSYTYVc
InChI InChI=1S/C11H12O4/c1-6-4-8(11(14)15-3)10(7(2)12)9(13)5-6/h4-5,13H,1-3H3
InChIKey FXQFNKYKWWWDNC-UHFFFAOYSA-N
Mol Weight 208.21 g/mol
Molecular Formula C11H12O4
Exact Mass 208.073559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kxnubtuw7Xk
Name Methyl 2-acetyl-3-hydroxy-5-methylbenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.073558862 u
Formula C11H12O4
InChI InChI=1S/C11H12O4/c1-6-4-8(11(14)15-3)10(7(2)12)9(13)5-6/h4-5,13H,1-3H3
InChIKey FXQFNKYKWWWDNC-UHFFFAOYSA-N
Molecular Weight 208.213 g/mol
SMILES C=1(C(=C(O)C=C(C1)C)C(=O)C)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859587