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4-bromanyl-5-prop-2-enyl-thiophene-2-carboxylic acid
SpectraBase Compound ID 4KV3ZNfQk0m
InChI InChI=1S/C8H7BrO2S/c1-2-3-6-5(9)4-7(12-6)8(10)11/h2,4H,1,3H2,(H,10,11)
InChIKey AQBVZZQCJHHHMT-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 579HgVzBmqL
Name 4-bromanyl-5-prop-2-enyl-thiophene-2-carboxylic acid
Alternate Name(s) 4-bromo-5-prop-2-enyl-2-thiophenecarboxylic acid 4-bromo-5-prop-2-enylthiophene-2-carboxylic acid 5-allyl-4-bromo-2-thenoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C8H7BrO2S
InChI InChI=1S/C8H7BrO2S/c1-2-3-6-5(9)4-7(12-6)8(10)11/h2,4H,1,3H2,(H,10,11)
InChIKey AQBVZZQCJHHHMT-UHFFFAOYSA-N
Molecular Weight 247.106 g/mol
SMILES OC(c1cc(c(s1)CC=C)Br)=O
SPLASH splash10-006t-0690000000-d56cf95da977bed13ec3
Source of Spectrum J-65-4634-36
Wiley ID 1532864