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1-(3'-Chloro-4'-methoxyphenyl)-3-hydroxy-1-propanone

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

1-(3'-Chloro-4'-methoxyphenyl)-3-hydroxy-1-propanone
SpectraBase Compound ID 1JVm4DJ0zSt
InChI InChI=1S/C10H11ClO3/c1-14-10-3-2-7(6-8(10)11)9(13)4-5-12/h2-3,6,12H,4-5H2,1H3
InChIKey XZIBDEIZAVKZMW-UHFFFAOYSA-N
Mol Weight 214.65 g/mol
Molecular Formula C10H11ClO3
Exact Mass 214.039672 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GP5AQpcJXfn
Name 1-(3'-Chloro-4'-methoxyphenyl)-3-hydroxy-1-propanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.039671911 u
Formula C10H11ClO3
InChI InChI=1S/C10H11ClO3/c1-14-10-3-2-7(6-8(10)11)9(13)4-5-12/h2-3,6,12H,4-5H2,1H3
InChIKey XZIBDEIZAVKZMW-UHFFFAOYSA-N
Molecular Weight 214.648 g/mol
SMILES C(O)CC(=O)C1=CC(Cl)=C(OC)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881678