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[[4-Methyl-1-methylene-2-(1-methylethenyl)-3-pentenyl]thio]benzene
SpectraBase Compound ID CP3iGIxtF0C
InChI InChI=1S/C16H20S/c1-12(2)11-16(13(3)4)14(5)17-15-9-7-6-8-10-15/h6-11,16H,3,5H2,1-2,4H3
InChIKey LYFFQBFFBKNDFF-UHFFFAOYSA-N
Mol Weight 244.4 g/mol
Molecular Formula C16H20S
Exact Mass 244.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mDUTU48FJX
Name [[4-Methyl-1-methylene-2-(1-methylethenyl)-3-pentenyl]thio]benzene
Alternate Name(s) 2-isopropenyl-4-methyl-1-methylene-3-pentenyl phenyl sulfide [(2-isopropenyl-4-methyl-1-methylene-3-pentenyl)sulfanyl]benzene
CAS Registry Number 78715-47-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20S
InChI InChI=1S/C16H20S/c1-12(2)11-16(13(3)4)14(5)17-15-9-7-6-8-10-15/h6-11,16H,3,5H2,1-2,4H3
InChIKey LYFFQBFFBKNDFF-UHFFFAOYSA-N
Molecular Weight 244.396 g/mol
SMILES C(C(C=C(C)C)C(=C)C)(Sc1ccccc1)=C
SPLASH splash10-000l-0960000000-3a87470f1b0ed900e1a0
Source of Spectrum J-46-4338-0
Wiley ID 1247508