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Methyl ester of N-dansyl-valine
SpectraBase Compound ID 5DomvF1FHqn
InChI InChI=1S/C18H24N2O4S/c1-12(2)17(18(21)24-5)19-25(22,23)16-11-7-8-13-14(16)9-6-10-15(13)20(3)4/h6-12,17,19H,1-5H3/t17-/m0/s1
InChIKey YCWWUBIIDPBPCN-KRWDZBQOSA-N
Mol Weight 364.46 g/mol
Molecular Formula C18H24N2O4S
Exact Mass 364.145678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1n4tclutOrT
Name Methyl ester of N-dansyl-valine
Alternate Name(s) Methyl (2S)-2-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)-3-methylbutanoate Methyl N-(5'-dimethylaminonaphthalene-1'-sulfonyl)-2-amino-3-methylbutanoate
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Formula C18H24N2O4S
InChI InChI=1S/C18H24N2O4S/c1-12(2)17(18(21)24-5)19-25(22,23)16-11-7-8-13-14(16)9-6-10-15(13)20(3)4/h6-12,17,19H,1-5H3/t17-/m0/s1
InChIKey YCWWUBIIDPBPCN-KRWDZBQOSA-N
Molecular Weight 364.460 g/mol
SMILES N(S(c1c2c(c(N(C)C)ccc2)ccc1)(=O)=O)[C@](C(=O)OC)(C(C)C)[H]
SPLASH splash10-01b9-0709000000-cbc5052f0ba5c4dc6380
Source of Spectrum KO-19-521-1
Wiley ID 1350663