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1H-Indene-2-carboxaldehyde, 2,3-dihydro-2-(phenylthio)-

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

1H-Indene-2-carboxaldehyde, 2,3-dihydro-2-(phenylthio)-
SpectraBase Compound ID KbsDrAvwJAt
InChI InChI=1S/C16H14OS/c17-12-16(18-15-8-2-1-3-9-15)10-13-6-4-5-7-14(13)11-16/h1-9,12H,10-11H2
InChIKey YCLVCBPMTICNLV-UHFFFAOYSA-N
Mol Weight 254.35 g/mol
Molecular Formula C16H14OS
Exact Mass 254.076536 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I4FyqLyypHQ
Name 1H-Indene-2-carboxaldehyde, 2,3-dihydro-2-(phenylthio)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.076536244 u
Formula C16H14OS
InChI InChI=1S/C16H14OS/c17-12-16(18-15-8-2-1-3-9-15)10-13-6-4-5-7-14(13)11-16/h1-9,12H,10-11H2
InChIKey YCLVCBPMTICNLV-UHFFFAOYSA-N
Molecular Weight 254.347 g/mol
SMILES C1(SC=2C=CC=CC2)(CC=2C=CC=CC2C1)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830902