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Benzo[b]thiophene, 4-methyl-2-(2-propenyl)-
SpectraBase Compound ID KPjtnejbZ4c
InChI InChI=1S/C12H12S/c1-3-5-10-8-11-9(2)6-4-7-12(11)13-10/h3-4,6-8H,1,5H2,2H3
InChIKey VMHIOPYRBOAJIT-UHFFFAOYSA-N
Mol Weight 188.29 g/mol
Molecular Formula C12H12S
Exact Mass 188.065972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7QZex8jseU
Name Benzo[b]thiophene, 4-methyl-2-(2-propenyl)-
Alternate Name(s) 2-allyl-4-methyl-benzothiophene 2-Allyl-4-methylbenzo[b]thiophene 4-methyl-2-prop-2-enyl-1-benzothiophene
CAS Registry Number 89816-54-6
Comments Less than 3 mono-isotopic peaks
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Formula C12H12S
InChI InChI=1S/C12H12S/c1-3-5-10-8-11-9(2)6-4-7-12(11)13-10/h3-4,6-8H,1,5H2,2H3
InChIKey VMHIOPYRBOAJIT-UHFFFAOYSA-N
Molecular Weight 188.288 g/mol
SMILES c12sc(cc2c(C)ccc1)CC=C
SPLASH splash10-000i-0900000000-9f66327b82d477a42df9
Source of Spectrum Y-20-1490-0
Wiley ID 1184995