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5-{[(2-cyanoethyl)sulfanyl]methyl}-2-furoic acid
SpectraBase Compound ID B8F8IDsiJCt
InChI InChI=1S/C9H9NO3S/c10-4-1-5-14-6-7-2-3-8(13-7)9(11)12/h2-3H,1,5-6H2,(H,11,12)
InChIKey KXHJJUBTIZNZRR-UHFFFAOYSA-N
Mol Weight 211.23 g/mol
Molecular Formula C9H9NO3S
Exact Mass 211.030314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3VcRuJQXVMf
Name 5-{[(2-cyanoethyl)sulfanyl]methyl}-2-furoic acid
Alternate Name(s) 5-(2-cyanoethylsulfanylmethyl)furan-2-carboxylic acid 5-[(2-cyanoethylthio)methyl]-2-furancarboxylic acid 5-[(2-cyanoethylthio)methyl]-2-furoic acid Furan-2-carboxylic acid, 5-(2-cyanoethylsulfanylmethyl)-
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Formula C9H9NO3S
InChI InChI=1S/C9H9NO3S/c10-4-1-5-14-6-7-2-3-8(13-7)9(11)12/h2-3H,1,5-6H2,(H,11,12)
InChIKey KXHJJUBTIZNZRR-UHFFFAOYSA-N
Molecular Weight 211.235 g/mol
SMILES OC(c1oc(CSCCC#N)cc1)=O
SPLASH splash10-004i-9700000000-a5520fcf9f344539f94c
Wiley ID 1442015