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(6E)-3,4,7,11-Tetramethyl-2-phenylthio-1,3,6,10-dodecatetraene

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(6E)-3,4,7,11-Tetramethyl-2-phenylthio-1,3,6,10-dodecatetraene
SpectraBase Compound ID 5rj55mO0EhO
InChI InChI=1S/C22H30S/c1-17(2)11-10-12-18(3)15-16-19(4)20(5)21(6)23-22-13-8-7-9-14-22/h7-9,11,13-15H,6,10,12,16H2,1-5H3/b18-15+,20-19+
InChIKey DFXKCXNQFNAKIV-WCUYJECPSA-N
Mol Weight 326.54 g/mol
Molecular Formula C22H30S
Exact Mass 326.206822 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ClerdsFURaW
Name (6E)-3,4,7,11-Tetramethyl-2-phenylthio-1,3,6,10-dodecatetraene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.206822140 u
Formula C22H30S
InChI InChI=1S/C22H30S/c1-17(2)11-10-12-18(3)15-16-19(4)20(5)21(6)23-22-13-8-7-9-14-22/h7-9,11,13-15H,6,10,12,16H2,1-5H3/b18-15+,20-19+
InChIKey DFXKCXNQFNAKIV-WCUYJECPSA-N
Molecular Weight 326.542 g/mol
SMILES C=C(\C(=C\(C\C=C\(CCC=C(C)C)C)C)C)SC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888483