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2-Tert-Butyl-3-methylbenzo[b]thiophene
SpectraBase Compound ID IrN046TJ9Zr
InChI InChI=1S/C13H16S/c1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4/h5-8H,1-4H3
InChIKey DPORVFQGGOARND-UHFFFAOYSA-N
Mol Weight 204.33 g/mol
Molecular Formula C13H16S
Exact Mass 204.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ibgqQFN5bN
Name 2-Tert-Butyl-3-methylbenzo[b]thiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16S
InChI InChI=1S/C13H16S/c1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4/h5-8H,1-4H3
InChIKey DPORVFQGGOARND-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200336c
Molecular Weight 204.331 g/mol
SMILES c1ccc2sc(c(c2c1)C)C(C)(C)C
SPLASH splash10-000i-0920000000-c687ac59eeec2731ba11
Source of Spectrum A1-13-1912/SMS8-4e'
Synonyms 2-(tert-butyl)-3-methylbenzo[b]thiophene 2-Tert-butyl-3-methyl-1-benzothiophene
Wiley ID 1753001