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Hydrogen Methyl (3S,5R)-1-benzyloxycarbonylpiperidine-3,5-dicarboxylate
SpectraBase Compound ID GRyasGdYtNG
InChI InChI=1S/C16H19NO6/c1-22-15(20)13-7-12(14(18)19)8-17(9-13)16(21)23-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,18,19)/t12-,13+/m1/s1
InChIKey KHBOHQCUBWLZLK-OLZOCXBDSA-N
Mol Weight 321.33 g/mol
Molecular Formula C16H19NO6
Exact Mass 321.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8o7WRFPtyg
Name Hydrogen Methyl (3S,5R)-1-benzyloxycarbonylpiperidine-3,5-dicarboxylate
Alternate Name(s) (3R,5S)-1-[(benzyloxy)carbonyl]-5-(methoxycarbonyl)-3-piperidinecarboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C16H19NO6
InChI InChI=1S/C16H19NO6/c1-22-15(20)13-7-12(14(18)19)8-17(9-13)16(21)23-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,18,19)/t12-,13+/m1/s1
InChIKey KHBOHQCUBWLZLK-OLZOCXBDSA-N
Molecular Weight 321.329 g/mol
SMILES OC([C@]1(CN(C(OCc2ccccc2)=O)C[C@@](C(=O)OC)(C1)[H])[H])=O
SPLASH splash10-000i-0902000000-2d55d661a46bbb25e4aa
Source of Spectrum QC-7-348-2
Wiley ID 869085