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(2R,.alpha.R)-3-Hydroxy-2-(.alpha.-methylbenzyl)aminopropyl 4-nitrobenzoate
SpectraBase Compound ID BvA2nDw6zTh
InChI InChI=1S/C18H20N2O5/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/t13-,16-/m1/s1
InChIKey ASEOPVWRAJYDBY-CZUORRHYSA-N
Mol Weight 344.37 g/mol
Molecular Formula C18H20N2O5
Exact Mass 344.137222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IcPmesyAQ9J
Name (2R,.alpha.R)-3-Hydroxy-2-(.alpha.-methylbenzyl)aminopropyl 4-nitrobenzoate
Alternate Name(s) 4-Nitrobenzoic acid[(2R)-3-hydroxy-2-[[(1R)-1-phenylethyl]amino]propyl]ester [(2R)-3-hydroxy-2-[[(1R)-1-phenylethyl]amino]propyl]4-nitrobenzoate [(2R)-3-oxidanyl-2-[[(1R)-1-phenylethyl]amino]propyl]4-nitrobenzoate [(2R)-3-hydroxy-2-[[(1R)-1-phenylethyl]amino]propyl] 4-nitrobenzoate [(2R)-3-oxidanyl-2-[[(1R)-1-phenylethyl]amino]propyl] 4-nitrobenzoate
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Formula C18H20N2O5
InChI InChI=1S/C18H20N2O5/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/t13-,16-/m1/s1
InChIKey ASEOPVWRAJYDBY-CZUORRHYSA-N
Molecular Weight 344.367 g/mol
SMILES N([C@](CO)(COC(c1ccc(N(=O)=O)cc1)=O)[H])[C@@](c1ccccc1)(C)[H]
SPLASH splash10-066r-0900000000-49933c29b9d7b0f90041
Source of Spectrum KD-14-2158-2
Wiley ID 1636228