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5-(3-Amino-5-hydroxy-4-nitro-2-thienyl)pentanoic acid
SpectraBase Compound ID HMjbEuuQxtb
InChI InChI=1S/C9H12N2O5S/c10-7-5(3-1-2-4-6(12)13)17-9(14)8(7)11(15)16/h14H,1-4,10H2,(H,12,13)
InChIKey VIOCDGSGHAGDNA-UHFFFAOYSA-N
Mol Weight 260.26 g/mol
Molecular Formula C9H12N2O5S
Exact Mass 260.046693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1noAzMerTc
Name 5-(3-Amino-5-hydroxy-4-nitro-2-thienyl)pentanoic acid
Alternate Name(s) 5-(3-amino-5-hydroxy-4-nitro-2-thiophenyl)pentanoic acid 5-(3-amino-5-hydroxy-4-nitrothiophen-2-yl)pentanoic acid 5-(3-azanyl-4-nitro-5-oxidanyl-thiophen-2-yl)pentanoic acid
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Formula C9H12N2O5S
InChI InChI=1S/C9H12N2O5S/c10-7-5(3-1-2-4-6(12)13)17-9(14)8(7)11(15)16/h14H,1-4,10H2,(H,12,13)
InChIKey VIOCDGSGHAGDNA-UHFFFAOYSA-N
Molecular Weight 260.264 g/mol
SMILES Nc1c(c(sc1CCCCC(=O)O)O)N(=O)=O
SPLASH splash10-052g-9300000000-893c0561184d9ec8eb2b
Wiley ID 1438798