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rel-[2S,6S,2(3R)]-N-[(benzyloxy)carbonyl]-2-(3-hydroxyheptyl)-6-propylpiperidine
SpectraBase Compound ID 4V5jLgnBBkM
InChI InChI=1S/C23H37NO3/c1-3-5-15-22(25)17-16-21-14-9-13-20(10-4-2)24(21)23(26)27-18-19-11-7-6-8-12-19/h6-8,11-12,20-22,25H,3-5,9-10,13-18H2,1-2H3/t20-,21-,22+/m0/s1
InChIKey BYBIEEKMOATXJU-FDFHNCONSA-N
Mol Weight 375.6 g/mol
Molecular Formula C23H37NO3
Exact Mass 375.277344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jpy1ps87NnP
Name rel-[2S,6S,2(3R)]-N-[(benzyloxy)carbonyl]-2-(3-hydroxyheptyl)-6-propylpiperidine
Alternate Name(s) benzyl (2S,6S)-2-[(3R)-3-hydroxyheptyl]-6-propyl-1-piperidinecarboxylate
CAS Registry Number 122045-86-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H37NO3
InChI InChI=1S/C23H37NO3/c1-3-5-15-22(25)17-16-21-14-9-13-20(10-4-2)24(21)23(26)27-18-19-11-7-6-8-12-19/h6-8,11-12,20-22,25H,3-5,9-10,13-18H2,1-2H3/t20-,21-,22+/m0/s1
InChIKey BYBIEEKMOATXJU-FDFHNCONSA-N
Molecular Weight 375.553 g/mol
SMILES O[C@@](CC[C@]1(N(C(OCc2ccccc2)=O)[C@](CCC1)(CCC)[H])[H])(CCCC)[H]
SPLASH splash10-00kf-6090000000-c84ad2ca301c8b3b129f
Source of Spectrum J-54-4096-51
Wiley ID 1357300