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rel-[2S,6S,2(3R)]-2-[3-[[(benzyloxy)carbonyl]oxy]heptyl]-6-propylpiperidine
SpectraBase Compound ID InuSa5CuNsb
InChI InChI=1S/C23H37NO3/c1-3-5-15-22(17-16-21-14-9-13-20(24-21)10-4-2)27-23(25)26-18-19-11-7-6-8-12-19/h6-8,11-12,20-22,24H,3-5,9-10,13-18H2,1-2H3/t20-,21-,22+/m0/s1
InChIKey YCYWMOKKNJHJCJ-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 8tQClYY86YF
Name rel-[2S,6S,2(3R)]-2-[3-[[(benzyloxy)carbonyl]oxy]heptyl]-6-propylpiperidine
CAS Registry Number 122045-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H37NO3
InChI InChI=1S/C23H37NO3/c1-3-5-15-22(17-16-21-14-9-13-20(24-21)10-4-2)27-23(25)26-18-19-11-7-6-8-12-19/h6-8,11-12,20-22,24H,3-5,9-10,13-18H2,1-2H3/t20-,21-,22+/m0/s1
InChIKey YCYWMOKKNJHJCJ-FDFHNCONSA-N
Molecular Weight 375.553 g/mol
SMILES N1[C@](CCC[C@]1(CC[C@](OC(=O)OCc1ccccc1)(CCCC)[H])[H])(CCC)[H]
SPLASH splash10-00o0-1900000000-5fb990d9ecfcf90ac538
Source of Spectrum J-54-4096-52
Synonyms benzyl (1R)-1-{2-[(2S,6S)-6-propylpiperidinyl]ethyl}pentyl carbonate
Wiley ID 1357301