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rel-[2S,6S,2(3R)]-N-[(benzyloxy)carbonyl]-2-(3-hydroxyheptyl)-6-methylpiperidine
SpectraBase Compound ID GBLhGpF2y3M
InChI InChI=1S/C21H33NO3/c1-3-4-13-20(23)15-14-19-12-8-9-17(2)22(19)21(24)25-16-18-10-6-5-7-11-18/h5-7,10-11,17,19-20,23H,3-4,8-9,12-16H2,1-2H3/t17-,19-,20+/m0/s1
InChIKey GEMHUZUAKDNZQK-YSIASYRMSA-N
Mol Weight 347.5 g/mol
Molecular Formula C21H33NO3
Exact Mass 347.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDGd08sFhPR
Name rel-[2S,6S,2(3R)]-N-[(benzyloxy)carbonyl]-2-(3-hydroxyheptyl)-6-methylpiperidine
CAS Registry Number 122045-82-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33NO3
InChI InChI=1S/C21H33NO3/c1-3-4-13-20(23)15-14-19-12-8-9-17(2)22(19)21(24)25-16-18-10-6-5-7-11-18/h5-7,10-11,17,19-20,23H,3-4,8-9,12-16H2,1-2H3/t17-,19-,20+/m0/s1
InChIKey GEMHUZUAKDNZQK-YSIASYRMSA-N
Molecular Weight 347.499 g/mol
SMILES O[C@@](CC[C@]1(N(C(OCc2ccccc2)=O)[C@](CCC1)(C)[H])[H])(CCCC)[H]
SPLASH splash10-000f-9830000000-65c25b86ef94f505f24d
Source of Spectrum J-54-4095-41
Synonyms benzyl (2S,6S)-2-[(3R)-3-hydroxyheptyl]-6-methyl-1-piperidinecarboxylate
Wiley ID 1340106