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3-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one

View entire compound with spectra: 3 NMR, 1 FTIR, and 4 MS (GC)

3-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one
SpectraBase Compound ID 5BxQkqPQCdU
InChI InChI=1S/C10H12O4/c1-14-10-6-7(2-3-9(10)13)8(12)4-5-11/h2-3,6,11,13H,4-5H2,1H3
InChIKey NXCPMSUBVRGTSE-UHFFFAOYSA-N
Mol Weight 196.2 g/mol
Molecular Formula C10H12O4
Exact Mass 196.073559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H5iJGWnFDHa
Name 3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-propan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.073558862 u
Formula C10H12O4
InChI InChI=1S/C10H12O4/c1-14-10-6-7(2-3-9(10)13)8(12)4-5-11/h2-3,6,11,13H,4-5H2,1H3
InChIKey NXCPMSUBVRGTSE-UHFFFAOYSA-N
Molecular Weight 196.202 g/mol
SMILES C1(O)=C(C=C(C(=O)CCO)C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938238