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4-(Phenylthio)-2,7,7-trimethyl-3-octene
SpectraBase Compound ID 5mNcdbfPAnJ
InChI InChI=1S/C17H26S/c1-14(2)13-16(11-12-17(3,4)5)18-15-9-7-6-8-10-15/h6-10,13-14H,11-12H2,1-5H3/b16-13+
InChIKey GXGGRYIOTSAXAE-DTQAZKPQSA-N
Mol Weight 262.45 g/mol
Molecular Formula C17H26S
Exact Mass 262.175522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ej34ktsfXsL
Name 4-(Phenylthio)-2,7,7-trimethyl-3-octene
Alternate Name(s) (1E)-1-(3,3-dimethylbutyl)-3-methyl-1-butenyl phenyl sulfide {[(1E)-1-(3,3-dimethylbutyl)-3-methyl-1-butenyl]sulfanyl}benzene
CAS Registry Number 122540-22-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26S
InChI InChI=1S/C17H26S/c1-14(2)13-16(11-12-17(3,4)5)18-15-9-7-6-8-10-15/h6-10,13-14H,11-12H2,1-5H3/b16-13+
InChIKey GXGGRYIOTSAXAE-DTQAZKPQSA-N
Molecular Weight 262.455 g/mol
SMILES C(\C=C/(Sc1ccccc1)CCC(C)(C)C)(C)C
SPLASH splash10-0bti-5930000000-2d81f7e071d8521a9ca8
Source of Spectrum J-54-4253-5
Wiley ID 1266358