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4-Chloranyl-5-methyl-3-oxidanyl-1-phenyl-hexan-1-one

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

4-Chloranyl-5-methyl-3-oxidanyl-1-phenyl-hexan-1-one
SpectraBase Compound ID 86OZpgVnYV
InChI InChI=1S/C13H17ClO2/c1-9(2)13(14)12(16)8-11(15)10-6-4-3-5-7-10/h3-7,9,12-13,16H,8H2,1-2H3
InChIKey OGKJZYFYICCSKM-UHFFFAOYSA-N
Mol Weight 240.73 g/mol
Molecular Formula C13H17ClO2
Exact Mass 240.091707 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ha5H4bF2pPz
Name 4-Chloranyl-5-methyl-3-oxidanyl-1-phenyl-hexan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.091707485 u
Formula C13H17ClO2
InChI InChI=1S/C13H17ClO2/c1-9(2)13(14)12(16)8-11(15)10-6-4-3-5-7-10/h3-7,9,12-13,16H,8H2,1-2H3
InChIKey OGKJZYFYICCSKM-UHFFFAOYSA-N
Molecular Weight 240.730 g/mol
SMILES C(C(=O)C=1C=CC=CC1)C(C(Cl)C(C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.841973