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N-dansyl-methylthreonine
SpectraBase Compound ID GGzsJFpoMMH
InChI InChI=1S/C17H22N2O5S/c1-11(20)16(17(21)24-4)18-25(22,23)15-10-6-7-12-13(15)8-5-9-14(12)19(2)3/h5-11,16,18,20H,1-4H3
InChIKey ZRZIJLCXNBNOBH-UHFFFAOYSA-N
Mol Weight 366.43 g/mol
Molecular Formula C17H22N2O5S
Exact Mass 366.124943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uI9ErrvvNs
Name N-dansyl-methylthreonine
Alternate Name(s) Methyl 2-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)-3-hydroxybutanoate Methyl N-(5-dimethylaminonaphthalene-1-sulfonyl)-2-amino-3-hydroxybutanoate
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Formula C17H22N2O5S
InChI InChI=1S/C17H22N2O5S/c1-11(20)16(17(21)24-4)18-25(22,23)15-10-6-7-12-13(15)8-5-9-14(12)19(2)3/h5-11,16,18,20H,1-4H3
InChIKey ZRZIJLCXNBNOBH-UHFFFAOYSA-N
Molecular Weight 366.432 g/mol
SMILES N(S(c1c2c(c(N(C)C)ccc2)ccc1)(=O)=O)C(C(O)C)C(=O)OC
SPLASH splash10-01b9-0419000000-63b1bb0f0f2f894722ca
Source of Spectrum KO-14-2-0
Wiley ID 1351766