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1-(Phenylthio)-3,7,11-trimethyl-2,6,10-dodecatriene E,E-

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

1-(Phenylthio)-3,7,11-trimethyl-2,6,10-dodecatriene E,E-
SpectraBase Compound ID KN6zUatEURd
InChI InChI=1S/C21H30S/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21-14-6-5-7-15-21/h5-7,10,12,14-16H,8-9,11,13,17H2,1-4H3/b19-12+,20-16+
InChIKey JGFUGGJYHIKVGT-YEFHWUCQSA-N
Mol Weight 314.53 g/mol
Molecular Formula C21H30S
Exact Mass 314.206822 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 68Ez9Cu8qIJ
Name 1-(Phenylthio)-3,7,11-trimethyl-2,6,10-dodecatriene E,E-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.206822140 u
Formula C21H30S
InChI InChI=1S/C21H30S/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21-14-6-5-7-15-21/h5-7,10,12,14-16H,8-9,11,13,17H2,1-4H3/b19-12+,20-16+
InChIKey JGFUGGJYHIKVGT-YEFHWUCQSA-N
SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CSC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.807087