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(E)-3-Benzyl-4-[(phenethylthio)methylidene]pyran

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

(E)-3-Benzyl-4-[(phenethylthio)methylidene]pyran
SpectraBase Compound ID AlxP6zbLMGH
InChI InChI=1S/C21H24OS/c1-3-7-18(8-4-1)12-14-23-17-20-11-13-22-16-21(20)15-19-9-5-2-6-10-19/h1-10,17,21H,11-16H2/b20-17+
InChIKey LNRQOYWYFJASJX-LVZFUZTISA-N
Mol Weight 324.48 g/mol
Molecular Formula C21H24OS
Exact Mass 324.154787 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CWbiD54R4wL
Name (E)-3-Benzyl-4-[(phenethylthio)methylidene]pyran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.154786566 u
Formula C21H24OS
InChI InChI=1S/C21H24OS/c1-3-7-18(8-4-1)12-14-23-17-20-11-13-22-16-21(20)15-19-9-5-2-6-10-19/h1-10,17,21H,11-16H2/b20-17+
InChIKey LNRQOYWYFJASJX-LVZFUZTISA-N
Molecular Weight 324.482 g/mol
SMILES C1(\C(CCOC1)=C\SCCC1=CC=CC=C1)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.803468