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Phenylacetylformic acid, 4-hydroxy-3-methoxy-

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Phenylacetylformic acid, 4-hydroxy-3-methoxy-
SpectraBase Compound ID 2286s8MKJwU
InChI InChI=1S/C10H10O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,11H,4H2,1H3,(H,13,14)
InChIKey YGQHQTMRZPHIBB-UHFFFAOYSA-N
Mol Weight 210.18 g/mol
Molecular Formula C10H10O5
Exact Mass 210.052823 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dw7d5fpfuiU
Name Phenylacetylformic acid, 4-hydroxy-3-methoxy-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.052823417 u
Formula C10H10O5
InChI InChI=1S/C10H10O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,11H,4H2,1H3,(H,13,14)
InChIKey YGQHQTMRZPHIBB-UHFFFAOYSA-N
Molecular Weight 210.185 g/mol
SMILES C1=C(C=C(C(=C1)O)OC)CC(=O)C(O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976509