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1-[(E)-2-phenylethenyl]-1,3-dihydroisobenzofuran

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

1-[(E)-2-phenylethenyl]-1,3-dihydroisobenzofuran
SpectraBase Compound ID ItvMQELcGE2
InChI InChI=1S/C16H14O/c1-2-6-13(7-3-1)10-11-16-15-9-5-4-8-14(15)12-17-16/h1-11,16H,12H2/b11-10+
InChIKey IRSYUGIXJWJVJK-ZHACJKMWSA-N
Mol Weight 222.29 g/mol
Molecular Formula C16H14O
Exact Mass 222.104465 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JFvryMWRV9P
Name 1-[(E)-2-Phenylethenyl]-1,3-dihydroisobenzofuran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.104465070 u
Formula C16H14O
InChI InChI=1S/C16H14O/c1-2-6-13(7-3-1)10-11-16-15-9-5-4-8-14(15)12-17-16/h1-11,16H,12H2/b11-10+
InChIKey IRSYUGIXJWJVJK-ZHACJKMWSA-N
Molecular Weight 222.287 g/mol
SMILES C1(OCC2=CC=CC=C12)\C=C\C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858096