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2-(tert-Butyl)-3-iodobenzo[b]thiophene
SpectraBase Compound ID KQB1iwG0dgx
InChI InChI=1S/C12H13IS/c1-12(2,3)11-10(13)8-6-4-5-7-9(8)14-11/h4-7H,1-3H3
InChIKey UGQHMHNTCLQRTG-UHFFFAOYSA-N
Mol Weight 316.2 g/mol
Molecular Formula C12H13IS
Exact Mass 315.978267 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5In1l5ceYa
Name 2-(tert-Butyl)-3-iodobenzo[b]thiophene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13IS
InChI InChI=1S/C12H13IS/c1-12(2,3)11-10(13)8-6-4-5-7-9(8)14-11/h4-7H,1-3H3
InChIKey UGQHMHNTCLQRTG-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202200353
Molecular Weight 316.200 g/mol
SMILES c1(I)c2c(sc1C(C)(C)C)cccc2
SPLASH splash10-0gi0-0906000000-02ee9792be3da131d830
Source of Spectrum AJO-11-8-2j
Wiley ID 1873012