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2-(2-Phenylethyl)-2,3,4,5,6,7-hexahydrooxepin

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2-(2-Phenylethyl)-2,3,4,5,6,7-hexahydrooxepin
SpectraBase Compound ID 6ghUvGqYhcA
InChI InChI=1S/C14H20O/c1-3-7-13(8-4-1)10-11-14-9-5-2-6-12-15-14/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKey WJLAYTYUUBOXDB-UHFFFAOYSA-N
Mol Weight 204.31 g/mol
Molecular Formula C14H20O
Exact Mass 204.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4YY3y9BkP7H
Name 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 204.151415263 u
Formula C14H20O
InChI InChI=1S/C14H20O/c1-3-7-13(8-4-1)10-11-14-9-5-2-6-12-15-14/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKey WJLAYTYUUBOXDB-UHFFFAOYSA-N
Molecular Weight 204.313 g/mol
SMILES C1(OCCCCC1)CCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833113