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2-[(5-isobutyl-2-methyl-furan-3-carbonyl)-amino]-4-methylsulfanyl-butyric acid
SpectraBase Compound ID 222QymYQEnP
InChI InChI=1S/C15H23NO4S/c1-9(2)7-11-8-12(10(3)20-11)14(17)16-13(15(18)19)5-6-21-4/h8-9,13H,5-7H2,1-4H3,(H,16,17)(H,18,19)
InChIKey ADCGRQIYSOKNGD-UHFFFAOYSA-N
Mol Weight 313.41 g/mol
Molecular Formula C15H23NO4S
Exact Mass 313.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lzO3jtdO2G
Name 2-[(5-isobutyl-2-methyl-furan-3-carbonyl)-amino]-4-methylsulfanyl-butyric acid
Alternate Name(s) 2-[(5-isobutyl-2-methyl-3-furoyl)amino]-4-(methylthio)butyric acid 2-[(5-isobutyl-2-methyl-furan-3-carbonyl)amino]-4-methylsulfanyl-butanoic acid 2-[[2-methyl-5-(2-methylpropyl)furan-3-carbonyl]amino]-4-methylsulfanylbutanoic acid 2-[[2-methyl-5-(2-methylpropyl)furan-3-yl]carbonylamino]-4-methylsulfanyl-butanoic acid 2-[[[2-methyl-5-(2-methylpropyl)-3-furanyl]-oxomethyl]amino]-4-(methylthio)butanoic acid
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Formula C15H23NO4S
InChI InChI=1S/C15H23NO4S/c1-9(2)7-11-8-12(10(3)20-11)14(17)16-13(15(18)19)5-6-21-4/h8-9,13H,5-7H2,1-4H3,(H,16,17)(H,18,19)
InChIKey ADCGRQIYSOKNGD-UHFFFAOYSA-N
Molecular Weight 313.412 g/mol
SMILES N(C(c1c(oc(c1)CC(C)C)C)=O)C(C(=O)O)CCSC
SPLASH splash10-014i-5920000000-12439eefb1bb4999cdd9
Wiley ID 1452374