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6-Chloro-2-phenylchroman-4-one

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

6-Chloro-2-phenylchroman-4-one
SpectraBase Compound ID Ad77MqqllJt
InChI InChI=1S/C15H11ClO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15H,9H2
InChIKey JTHUHLHYZHHUMR-UHFFFAOYSA-N
Mol Weight 258.7 g/mol
Molecular Formula C15H11ClO2
Exact Mass 258.044757 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3HvIBm6MWn4
Name 6-Chloro-2-phenylchroman-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.044757292 u
Formula C15H11ClO2
InChI InChI=1S/C15H11ClO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15H,9H2
InChIKey JTHUHLHYZHHUMR-UHFFFAOYSA-N
Molecular Weight 258.704 g/mol
SMILES C=12C(CC(OC2=CC=C(C1)Cl)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953134