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(E,E)-3,7-dimethyl-1-(phenylthio)nona-2,6,8-triene
SpectraBase Compound ID 4KRnNSo5BRw
InChI InChI=1S/C17H22S/c1-4-15(2)9-8-10-16(3)13-14-18-17-11-6-5-7-12-17/h4-7,9,11-13H,1,8,10,14H2,2-3H3/b15-9+,16-13+
InChIKey JFQQHDNRRHUWGS-RNPYNJAESA-N
Mol Weight 258.42 g/mol
Molecular Formula C17H22S
Exact Mass 258.144222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7YTzXgqxNz3
Name (E,E)-3,7-dimethyl-1-(phenylthio)nona-2,6,8-triene
Alternate Name(s) (2E,6E)-3,7-dimethyl-2,6,8-nonatrienyl phenyl sulfide {[(2E,6E)-3,7-dimethyl-2,6,8-nonatrienyl]sulfanyl}benzene
CAS Registry Number 97634-58-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22S
InChI InChI=1S/C17H22S/c1-4-15(2)9-8-10-16(3)13-14-18-17-11-6-5-7-12-17/h4-7,9,11-13H,1,8,10,14H2,2-3H3/b15-9+,16-13+
InChIKey JFQQHDNRRHUWGS-RNPYNJAESA-N
Molecular Weight 258.423 g/mol
SMILES C(\C(=C\CC\C(=C\CSc1ccccc1)C)C)=C
SPLASH splash10-001i-9600000000-a0cb5a5e95eb0ea8d2d3
Source of Spectrum J-50-3772-17
Wiley ID 1262208