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2-Allyl-5-bromoythiophene-3-carboxylic acid
SpectraBase Compound ID BLvB3Dq5mKZ
InChI InChI=1S/C8H7BrO2S/c1-2-3-6-5(8(10)11)4-7(9)12-6/h2,4H,1,3H2,(H,10,11)
InChIKey BTWOXQWDZOGOOF-UHFFFAOYSA-N
Mol Weight 247.11 g/mol
Molecular Formula C8H7BrO2S
Exact Mass 245.935014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTe756QNgRk
Name 2-Allyl-5-bromoythiophene-3-carboxylic acid
Alternate Name(s) 5-Bromo-2-prop-2-enyl-3-thiophenecarboxylic acid 5-Bromo-2-prop-2-enylthiophene-3-carboxylic acid 2-Allyl-5-bromo-thiophene-3-carboxylic acid 5-Bromanyl-2-prop-2-enyl-thiophene-3-carboxylic acid
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Formula C8H7BrO2S
InChI InChI=1S/C8H7BrO2S/c1-2-3-6-5(8(10)11)4-7(9)12-6/h2,4H,1,3H2,(H,10,11)
InChIKey BTWOXQWDZOGOOF-UHFFFAOYSA-N
Molecular Weight 247.106 g/mol
SMILES OC(c1c(sc(c1)Br)CC=C)=O
SPLASH splash10-007k-0590000000-5f9140b5e5a2962b579a
Source of Spectrum J-65-4634-37
Wiley ID 1532861