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Benzene, [[4-methyl-1-(1-methylethenyl)pentyl]thio]-
SpectraBase Compound ID HLgEw6G1KqC
InChI InChI=1S/C15H22S/c1-12(2)10-11-15(13(3)4)16-14-8-6-5-7-9-14/h5-9,12,15H,3,10-11H2,1-2,4H3
InChIKey XLZHGSGVESFDGU-UHFFFAOYSA-N
Mol Weight 234.4 g/mol
Molecular Formula C15H22S
Exact Mass 234.144222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91pQUU1X7aX
Name Benzene, [[4-methyl-1-(1-methylethenyl)pentyl]thio]-
CAS Registry Number 61737-13-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22S
InChI InChI=1S/C15H22S/c1-12(2)10-11-15(13(3)4)16-14-8-6-5-7-9-14/h5-9,12,15H,3,10-11H2,1-2,4H3
InChIKey XLZHGSGVESFDGU-UHFFFAOYSA-N
Molecular Weight 234.401 g/mol
SMILES C(Sc1ccccc1)(C(=C)C)CCC(C)C
SPLASH splash10-014l-9200000000-e1e6444cca7901d2045b
Source of Spectrum KC-1977-1138-0
Synonyms (2,6-dimethylhept-1-en-3-ylthio)benzene (1-isopropenyl-4-methyl-pentyl)sulfanylbenzene 2,6-Dimethylhept-1-en-3-ylsulfanylbenzene
Wiley ID 1236522