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3-(Phenylthio-methyl)-2,3-dihydro-benzofuran

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

3-(Phenylthio-methyl)-2,3-dihydro-benzofuran
SpectraBase Compound ID 7sHubMMPYUb
InChI InChI=1S/C15H14OS/c1-2-6-13(7-3-1)17-11-12-10-16-15-9-5-4-8-14(12)15/h1-9,12H,10-11H2
InChIKey YAQVPVJQFPPUJJ-UHFFFAOYSA-N
Mol Weight 242.34 g/mol
Molecular Formula C15H14OS
Exact Mass 242.076536 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J93ckMVh0Yd
Name Benzofuran, 2,3-dihydro-3-[(phenylthio)methyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.076536244 u
Formula C15H14OS
InChI InChI=1S/C15H14OS/c1-2-6-13(7-3-1)17-11-12-10-16-15-9-5-4-8-14(12)15/h1-9,12H,10-11H2
InChIKey YAQVPVJQFPPUJJ-UHFFFAOYSA-N
Molecular Weight 242.336 g/mol
SMILES C=12OCC(C2=CC=CC1)CSC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963398