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trans-Methyl 2-hydroxy-3-(m-bromo)phenyl-3'-(N-tosylamino)propanoate
SpectraBase Compound ID DVH52E3FIEp
InChI InChI=1S/C17H18BrNO5S/c1-11-6-8-14(9-7-11)25(22,23)19-15(16(20)17(21)24-2)12-4-3-5-13(18)10-12/h3-10,15-16,19-20H,1-2H3/t15-,16-/m1/s1
InChIKey RZKPUDKPUGDQRC-HZPDHXFCSA-N
Mol Weight 428.3 g/mol
Molecular Formula C17H18BrNO5S
Exact Mass 427.008907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFAiAFlKkn4
Name trans-Methyl 2-hydroxy-3-(m-bromo)phenyl-3'-(N-tosylamino)propanoate
Alternate Name(s) Methyl (2R,3R)-3-(3-bromophenyl)-2-hydroxy-3-{[(4-methylphenyl)sulfonyl]amino}propanoate
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Formula C17H18BrNO5S
InChI InChI=1S/C17H18BrNO5S/c1-11-6-8-14(9-7-11)25(22,23)19-15(16(20)17(21)24-2)12-4-3-5-13(18)10-12/h3-10,15-16,19-20H,1-2H3/t15-,16-/m1/s1
InChIKey RZKPUDKPUGDQRC-HZPDHXFCSA-N
Molecular Weight 428.297 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@@]([C@](C(=O)OC)(O)[H])(c1cc(Br)ccc1)[H]
SPLASH splash10-052f-9608000000-1837ac1e98642fc660d4
Source of Spectrum KC-61-6551-4
Wiley ID 1629691