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3-Benzyl-2,3-dihydro-benzo[b]thiophene

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

3-Benzyl-2,3-dihydro-benzo[b]thiophene
SpectraBase Compound ID 271ntbSguA2
InChI InChI=1S/C15H14S/c1-2-6-12(7-3-1)10-13-11-16-15-9-5-4-8-14(13)15/h1-9,13H,10-11H2
InChIKey JUQLUNUUOBAVJD-UHFFFAOYSA-N
Mol Weight 226.34 g/mol
Molecular Formula C15H14S
Exact Mass 226.081622 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7Rh6fmyNpWA
Name 3-Benzyl-2,3-dihydro-benzo[B]thiophene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.081621625 u
Formula C15H14S
InChI InChI=1S/C15H14S/c1-2-6-12(7-3-1)10-13-11-16-15-9-5-4-8-14(13)15/h1-9,13H,10-11H2
InChIKey JUQLUNUUOBAVJD-UHFFFAOYSA-N
Molecular Weight 226.337 g/mol
SMILES C=12SCC(C2=CC=CC1)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961238