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(2,3-Dihydroxyphenyl) heptyl ketone

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

(2,3-Dihydroxyphenyl) heptyl ketone
SpectraBase Compound ID EKNLgsLnp2g
InChI InChI=1S/C14H20O3/c1-2-3-4-5-6-9-12(15)11-8-7-10-13(16)14(11)17/h7-8,10,16-17H,2-6,9H2,1H3
InChIKey SNPYYBGQICHENG-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kh1aioHbxLW
Name (2,3-Dihydroxyphenyl) heptyl ketone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.141244501 u
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-2-3-4-5-6-9-12(15)11-8-7-10-13(16)14(11)17/h7-8,10,16-17H,2-6,9H2,1H3
InChIKey SNPYYBGQICHENG-UHFFFAOYSA-N
Molecular Weight 236.311 g/mol
SMILES C=1(C(=C(O)C=CC1)O)C(=O)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939951