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4-(aminomethyl)-2,5-dimethyl-3-furoic acid
SpectraBase Compound ID 54YiD1f4How
InChI InChI=1S/C8H11NO3/c1-4-6(3-9)7(8(10)11)5(2)12-4/h3,9H2,1-2H3,(H,10,11)
InChIKey YOCHMFNEBPNGTF-UHFFFAOYSA-N
Mol Weight 169.18 g/mol
Molecular Formula C8H11NO3
Exact Mass 169.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JiLeB5yxSx8
Name 4-(aminomethyl)-2,5-dimethyl-3-furoic acid
Alternate Name(s) 4-(aminomethyl)-2,5-dimethyl-3-furancarboxylic acid 4-(aminomethyl)-2,5-dimethyl-furan-3-carboxylic acid 4-(ammoniomethyl)-2,5-dimethyl-3-furancarboxylate 4-(ammoniomethyl)-2,5-dimethyl-3-furoate 4-(azaniumylmethyl)-2,5-dimethyl-furan-3-carboxylate Furan-3-carboxylic acid, 4-aminomethyl-2,5-dimethyl-
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Formula C8H11NO3
InChI InChI=1S/C8H11NO3/c1-4-6(3-9)7(8(10)11)5(2)12-4/h3,9H2,1-2H3,(H,10,11)
InChIKey YOCHMFNEBPNGTF-UHFFFAOYSA-N
Molecular Weight 169.180 g/mol
SMILES NCc1c(C(=O)O)c(oc1C)C
SPLASH splash10-0uec-9600000000-5642c22d2845935c635b
Wiley ID 1441064