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Methyl 5-acetoxy-2-hydroxy-4-methyl-6-phenylbenzoate

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

Methyl 5-acetoxy-2-hydroxy-4-methyl-6-phenylbenzoate
SpectraBase Compound ID KrPntvVlWVO
InChI InChI=1S/C17H16O5/c1-10-9-13(19)15(17(20)21-3)14(16(10)22-11(2)18)12-7-5-4-6-8-12/h4-9,19H,1-3H3
InChIKey PZVUZDFKWLIKOJ-UHFFFAOYSA-N
Mol Weight 300.31 g/mol
Molecular Formula C17H16O5
Exact Mass 300.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cex2wlZMAqM
Name Methyl 5-acetoxy-2-hydroxy-4-methyl-6-phenylbenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.099773610 u
Formula C17H16O5
InChI InChI=1S/C17H16O5/c1-10-9-13(19)15(17(20)21-3)14(16(10)22-11(2)18)12-7-5-4-6-8-12/h4-9,19H,1-3H3
InChIKey PZVUZDFKWLIKOJ-UHFFFAOYSA-N
SMILES C(C=1C(=CC(=C(C1C=1C=CC=CC1)OC(=O)C)C)O)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955502