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2-Bromo-3-(tert-butoxycarbonylamino)benzo[b]thiophene
SpectraBase Compound ID CGd30hcCRfW
InChI InChI=1S/C13H14BrNO2S/c1-13(2,3)17-12(16)15-10-8-6-4-5-7-9(8)18-11(10)14/h4-7H,1-3H3,(H,15,16)
InChIKey ZVLWFITXXLHNET-UHFFFAOYSA-N
Mol Weight 328.22 g/mol
Molecular Formula C13H14BrNO2S
Exact Mass 326.992863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4k4rlobwkF
Name 2-Bromo-3-(tert-butoxycarbonylamino)benzo[b]thiophene
Alternate Name(s) tert-Butyl 2-bromo-1-benzothien-3-ylcarbamate N-(2-bromo-1-benzothiophen-3-yl)carbamic acid tert-butyl ester tert-Butyl N-(2-bromo-1-benzothiophen-3-yl)carbamate tert-Butyl N-(2-bromobenzothiophen-3-yl)carbamate tert-Butyl N-(2-bromanyl-1-benzothiophen-3-yl)carbamate
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Formula C13H14BrNO2S
InChI InChI=1S/C13H14BrNO2S/c1-13(2,3)17-12(16)15-10-8-6-4-5-7-9(8)18-11(10)14/h4-7H,1-3H3,(H,15,16)
InChIKey ZVLWFITXXLHNET-UHFFFAOYSA-N
Molecular Weight 328.224 g/mol
SMILES N(C(OC(C)(C)C)=O)c1c(sc2c1cccc2)Br
SPLASH splash10-0a4i-9061000000-93291693c0881067b7ae
Source of Spectrum SO-0-933-3
Wiley ID 1538050