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5-Chloro-2-(2-phenylethyl)-2,3,4,5,6,7-hexahydrooxepin

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5-Chloro-2-(2-phenylethyl)-2,3,4,5,6,7-hexahydrooxepin
SpectraBase Compound ID 7DFpMTuZTM4
InChI InChI=1S/C14H19ClO/c15-13-7-9-14(16-11-10-13)8-6-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2
InChIKey NLRNOIJFBHQUSX-UHFFFAOYSA-N
Mol Weight 238.76 g/mol
Molecular Formula C14H19ClO
Exact Mass 238.112443 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IQs96BQUAls
Name 5-Chloro-2-(2-phenylethyl)-2,3,4,5,6,7-hexahydrooxepin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.112442931 u
Formula C14H19ClO
InChI InChI=1S/C14H19ClO/c15-13-7-9-14(16-11-10-13)8-6-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2
InChIKey NLRNOIJFBHQUSX-UHFFFAOYSA-N
Molecular Weight 238.758 g/mol
SMILES C1(OCCC(CC1)Cl)CCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960279