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(3S,5R)-Dimethyl 1-Benzylpiperidine-3,5-dicarboxylate
SpectraBase Compound ID 3601wL0T77f
InChI InChI=1S/C16H21NO4/c1-20-15(18)13-8-14(16(19)21-2)11-17(10-13)9-12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3/t13-,14+
InChIKey FVOZHPFANSGEAF-OKILXGFUSA-N
Mol Weight 291.35 g/mol
Molecular Formula C16H21NO4
Exact Mass 291.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ong6uTvuCw
Name (3S,5R)-Dimethyl 1-Benzylpiperidine-3,5-dicarboxylate
Alternate Name(s) (3R,5S)-1-(phenylmethyl)piperidine-3,5-dicarboxylic acid dimethyl ester Dimethyl meso-1-benzylpiperidine-3,5-dicarboxylate (3R,5S)-1-benzylpiperidine-3,5-dicarboxylic acid dimethyl ester cis-Dimethyl 1-Benzylpiperidine-3,5-dicarboxylate dimethyl (3R,5S)-1-(phenylmethyl)piperidine-3,5-dicarboxylate dimethyl (3R,5S)-1-benzyl-3,5-piperidinedicarboxylate dimethyl (3R,5S)-1-benzylpiperidine-3,5-dicarboxylate (3S,5R)-1-(phenylmethyl)piperidine-3,5-dicarboxylic acid dimethyl ester dimethyl (3S,5R)-1-benzylpiperidine-3,5-dicarboxylate dimethyl (3S,5R)-1-(phenylmethyl)piperidine-3,5-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C16H21NO4
InChI InChI=1S/C16H21NO4/c1-20-15(18)13-8-14(16(19)21-2)11-17(10-13)9-12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3/t13-,14+
InChIKey FVOZHPFANSGEAF-OKILXGFUSA-N
Molecular Weight 291.347 g/mol
SMILES [C@]1(C(=O)OC)(C[C@](C(=O)OC)(CN(C1)Cc1ccccc1)[H])[H]
SPLASH splash10-0udl-0090000000-7781a20cb8b6a0910625
Source of Spectrum QC-7-348-3
Wiley ID 869086