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(2S,.alpha.R)-3-Hydroxy-2-(.alpha.-methylbenzyl)aminopropyl 4-nitrobenzoate hydrochloride
SpectraBase Compound ID FcOKlFxP6FD
InChI InChI=1S/C18H20N2O5.ClH/c1-13(14-5-3-2-4-6-14)19-16(11-21)12-25-18(22)15-7-9-17(10-8-15)20(23)24;/h2-10,13,16,19,21H,11-12H2,1H3;1H/t13-,16+;/m1./s1
InChIKey IRDKPRXZYVTFPY-CACIRBSMSA-N
Mol Weight 380.83 g/mol
Molecular Formula C18H21ClN2O5
Exact Mass 380.113899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nkSkNq7fA
Name (2S,.alpha.R)-3-Hydroxy-2-(.alpha.-methylbenzyl)aminopropyl 4-nitrobenzoate hydrochloride
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Formula C18H21ClN2O5
InChI InChI=1S/C18H20N2O5.ClH/c1-13(14-5-3-2-4-6-14)19-16(11-21)12-25-18(22)15-7-9-17(10-8-15)20(23)24;/h2-10,13,16,19,21H,11-12H2,1H3;1H/t13-,16+;/m1./s1
InChIKey IRDKPRXZYVTFPY-CACIRBSMSA-N
Molecular Weight 380.828 g/mol
SMILES Cl.N([C@@](CO)(COC(c1ccc(N(=O)=O)cc1)=O)[H])[C@@](c1ccccc1)(C)[H]
SPLASH splash10-0bt9-0905000000-6527aba141598415ea64
Source of Spectrum KD-14-2157-2
Synonyms (2S)-3-hydroxy-2-{[(1R)-1-phenylethyl]amino}propyl 4-nitrobenzoate hydrochloride
Wiley ID 1636234