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N-dansyl N-methyl-methylthreonine
SpectraBase Compound ID 3GP2pCmILqG
InChI InChI=1S/C18H24N2O5S/c1-12(21)17(18(22)25-5)20(4)26(23,24)16-11-7-8-13-14(16)9-6-10-15(13)19(2)3/h6-12,17,21H,1-5H3
InChIKey HKOPNQVEWKQSLH-UHFFFAOYSA-N
Mol Weight 380.46 g/mol
Molecular Formula C18H24N2O5S
Exact Mass 380.140593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2C4HMVzizM6
Name N-dansyl N-methyl-methylthreonine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24N2O5S
InChI InChI=1S/C18H24N2O5S/c1-12(21)17(18(22)25-5)20(4)26(23,24)16-11-7-8-13-14(16)9-6-10-15(13)19(2)3/h6-12,17,21H,1-5H3
InChIKey HKOPNQVEWKQSLH-UHFFFAOYSA-N
Molecular Weight 380.459 g/mol
SMILES OC(C(N(S(c1c2c(c(N(C)C)ccc2)ccc1)(=O)=O)C)C(=O)OC)C
SPLASH splash10-0229-0709000000-b3c34b49d84860d942f9
Source of Spectrum KO-14-2-0
Synonyms Methyl 2-[{[5-(dimethylamino)-1-naphthyl]sulfonyl}(methyl)amino]-3-hydroxybutanoate Methyl N-(5-dimethylaminonaphthalene-1-sulfonyl)-2-methylamino-3-hydroxybutanoate
Wiley ID 1359581