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(3S,5R)-3-Acetoxymethyl-5-aminomethylpiperidine-1-carboxylic acid benzyl ester
SpectraBase Compound ID JRUbyzJkupj
InChI InChI=1S/C17H24N2O4/c1-13(20)22-12-16-7-15(8-18)9-19(10-16)17(21)23-11-14-5-3-2-4-6-14/h2-6,15-16H,7-12,18H2,1H3/t15-,16-/m0/s1
InChIKey QJFCKRGSQYGNPQ-HOTGVXAUSA-N
Mol Weight 320.39 g/mol
Molecular Formula C17H24N2O4
Exact Mass 320.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7H9hTmObit
Name (3S,5R)-3-Acetoxymethyl-5-aminomethylpiperidine-1-carboxylic acid benzyl ester
Alternate Name(s) (3S,5S)-3-Acetoxymethyl-5-aminomethylpiperidine-1-carboxylic acid benzyl ester benzyl (3S,5R)-3-[(acetyloxy)methyl]-5-(aminomethyl)-1-piperidinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24N2O4
InChI InChI=1S/C17H24N2O4/c1-13(20)22-12-16-7-15(8-18)9-19(10-16)17(21)23-11-14-5-3-2-4-6-14/h2-6,15-16H,7-12,18H2,1H3/t15-,16-/m0/s1
InChIKey QJFCKRGSQYGNPQ-HOTGVXAUSA-N
Molecular Weight 320.389 g/mol
SMILES NC[C@]1(CN(C(OCc2ccccc2)=O)C[C@@](COC(=O)C)(C1)[H])[H]
SPLASH splash10-0006-9400000000-23c37f9aa0a6fac2015a
Source of Spectrum F-55-11875-10
Wiley ID 839338