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2-Propanone, 1-(8-chloro-5H-benzocyclohepten-5-yl)-

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

2-Propanone, 1-(8-chloro-5H-benzocyclohepten-5-yl)-
SpectraBase Compound ID 70Pz8cVn919
InChI InChI=1S/C14H13ClO/c1-10(16)8-12-6-7-13(15)9-11-4-2-3-5-14(11)12/h2-7,9,12H,8H2,1H3
InChIKey PHRYBGBZHISPEQ-UHFFFAOYSA-N
Mol Weight 232.71 g/mol
Molecular Formula C14H13ClO
Exact Mass 232.065493 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7EdfXvHSVd
Name 2-Propanone, 1-(8-chloro-5H-benzocyclohepten-5-yl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.065492738 u
Formula C14H13ClO
InChI InChI=1S/C14H13ClO/c1-10(16)8-12-6-7-13(15)9-11-4-2-3-5-14(11)12/h2-7,9,12H,8H2,1H3
InChIKey PHRYBGBZHISPEQ-UHFFFAOYSA-N
Molecular Weight 232.710 g/mol
SMILES C1(C=2C(C=C(C=C1)Cl)=CC=CC2)CC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855237