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2-tert-butyl-1-benzothiophene
SpectraBase Compound ID BA0AfwV7fru
InChI InChI=1S/C12H14S/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11/h4-8H,1-3H3
InChIKey URAAFNPXYSWIGV-UHFFFAOYSA-N
Mol Weight 190.3 g/mol
Molecular Formula C12H14S
Exact Mass 190.081622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mWNuxsMUHw
Name 2-tert-butyl-1-benzothiophene
CAS Registry Number 35181-77-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14S
InChI InChI=1S/C12H14S/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11/h4-8H,1-3H3
InChIKey URAAFNPXYSWIGV-UHFFFAOYSA-N
Molecular Weight 190.304 g/mol
SMILES c1(sc2ccccc2c1)C(C)(C)C
SPLASH splash10-004i-0900000000-baf390fca7a49cfe462c
Source of Spectrum K-125-138-30
Synonyms 2-tert-butylbenzothiophene
Wiley ID 1186836