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Benzo[b]thiophene, 5-methyl-2-(2-propenyl)-
SpectraBase Compound ID 8uQo9vAIeO0
InChI InChI=1S/C12H12S/c1-3-4-11-8-10-7-9(2)5-6-12(10)13-11/h3,5-8H,1,4H2,2H3
InChIKey MYJNBNHUJPOMFS-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 6B9Crhy1fME
Name Benzo[b]thiophene, 5-methyl-2-(2-propenyl)-
Alternate Name(s) 2-allyl-5-methyl-benzothiophene 5-methyl-2-prop-2-enyl-1-benzothiophene
CAS Registry Number 89816-55-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12S
InChI InChI=1S/C12H12S/c1-3-4-11-8-10-7-9(2)5-6-12(10)13-11/h3,5-8H,1,4H2,2H3
InChIKey MYJNBNHUJPOMFS-UHFFFAOYSA-N
Molecular Weight 188.288 g/mol
SMILES c1(sc2c(c1)cc(cc2)C)CC=C
SPLASH splash10-000i-0900000000-0bfc7a23a2de7b8bd104
Source of Spectrum Y-20-1491-0
Wiley ID 1184996