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2-(2-phenylethyl)-4H-1,3-benzodioxin

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

2-(2-phenylethyl)-4H-1,3-benzodioxin
SpectraBase Compound ID 5rfdxsJMhBj
InChI InChI=1S/C16H16O2/c1-2-6-13(7-3-1)10-11-16-17-12-14-8-4-5-9-15(14)18-16/h1-9,16H,10-12H2
InChIKey XQIQJFMSVOPYAG-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IyuIaivPEPV
Name 2-(2-Phenylethyl)-4H-1,3-benzodioxin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.115029753 u
Formula C16H16O2
InChI InChI=1S/C16H16O2/c1-2-6-13(7-3-1)10-11-16-17-12-14-8-4-5-9-15(14)18-16/h1-9,16H,10-12H2
InChIKey XQIQJFMSVOPYAG-UHFFFAOYSA-N
Molecular Weight 240.302 g/mol
SMILES C=12OC(OCC2=CC=CC1)CCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875073