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3-iodanylthiophene-2-carboxylic acid
SpectraBase Compound ID 2s8ZSR2ajDT
InChI InChI=1S/C5H3IO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)
InChIKey MTGLHUXETAKGDB-UHFFFAOYSA-N
Mol Weight 254.04 g/mol
Molecular Formula C5H3IO2S
Exact Mass 253.889846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FgCkH9cQxOO
Name 3-iodanylthiophene-2-carboxylic acid
Alternate Name(s) 3-iodo-2-thenoic acid 3-iodo-2-thiophenecarboxylic acid 3-iodothiophene-2-carboxylic acid
CAS Registry Number 60166-84-9
Comments Less than 3 mono-isotopic peaks
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Formula C5H3IO2S
InChI InChI=1S/C5H3IO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)
InChIKey MTGLHUXETAKGDB-UHFFFAOYSA-N
Molecular Weight 254.041 g/mol
SMILES OC(c1c(ccs1)I)=O
SPLASH splash10-0udr-0090000000-16769b8168f0b44a3ced
Source of Spectrum KC-1985-180-20
Wiley ID 1257072