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Tert-Butyle 1-benzothiophene-2-carboxylate
SpectraBase Compound ID FKLBCAedvj5
InChI InChI=1S/C13H14O2S/c1-13(2,3)15-12(14)11-8-9-6-4-5-7-10(9)16-11/h4-8H,1-3H3
InChIKey KKHDSIRWFIAULC-UHFFFAOYSA-N
Mol Weight 234.31 g/mol
Molecular Formula C13H14O2S
Exact Mass 234.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92dABHT6apQ
Name Tert-Butyle 1-benzothiophene-2-carboxylate
Alternate Name(s) tert-Butyl benzo[b]thiophene-2-carboxylate 1-Benzothiophene-2-carboxylic acid tert-butyl ester tert-Butyl benzothiophene-2-carboxylate tert-Butyl 1-benzothiophene-2-carboxylate
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Formula C13H14O2S
InChI InChI=1S/C13H14O2S/c1-13(2,3)15-12(14)11-8-9-6-4-5-7-10(9)16-11/h4-8H,1-3H3
InChIKey KKHDSIRWFIAULC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol401610e
Molecular Weight 234.313 g/mol
SMILES c1cc2cc(sc2cc1)C(=O)OC(C)(C)C
SPLASH splash10-004i-2910000000-841023cff0f0039b4d39
Source of Spectrum A1-15-3876/SMS17-21b
Wiley ID 1748954