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3-Tert-Butyl-2-methylbenzo[b]thiphene
SpectraBase Compound ID J2oK4gRRhfL
InChI InChI=1S/C13H16S/c1-9-12(13(2,3)4)10-7-5-6-8-11(10)14-9/h5-8H,1-4H3
InChIKey XAIINSJKMHFKLC-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 I4nB3hIz6Ko
Name 3-Tert-Butyl-2-methylbenzo[b]thiphene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16S
InChI InChI=1S/C13H16S/c1-9-12(13(2,3)4)10-7-5-6-8-11(10)14-9/h5-8H,1-4H3
InChIKey XAIINSJKMHFKLC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200336c
Molecular Weight 204.331 g/mol
SMILES c1ccc2sc(c(c2c1)C(C)(C)C)C
SPLASH splash10-000j-0910000000-a10feac81653197cb0aa
Source of Spectrum A1-13-1912/SMS8-4e
Synonyms 3-(tert-butyl)-2-methylbenzo[b]thiophene 3-Tert-butyl-2-methyl-1-benzothiophene
Wiley ID 1753002