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rel-[2S,6S,2(3R)]-2-[3-[[(benzyloxy)carbonyl]oxy]heptyl]-6-methylpiperidine
SpectraBase Compound ID 8GxX36ABRU7
InChI InChI=1S/C21H33NO3/c1-18-11-10-15-20(22-18)14-8-3-2-4-9-16-24-21(23)25-17-19-12-6-5-7-13-19/h5-7,12-13,18,20,22H,2-4,8-11,14-17H2,1H3/t18-,20-/m0/s1
InChIKey YTZIGDYLEPSPFA-ICSRJNTNSA-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 CLzdoWvqcGk
Name rel-[2S,6S,2(3R)]-2-[3-[[(benzyloxy)carbonyl]oxy]heptyl]-6-methylpiperidine
CAS Registry Number 122045-83-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33NO3
InChI InChI=1S/C21H33NO3/c1-18-11-10-15-20(22-18)14-8-3-2-4-9-16-24-21(23)25-17-19-12-6-5-7-13-19/h5-7,12-13,18,20,22H,2-4,8-11,14-17H2,1H3/t18-,20-/m0/s1
InChIKey YTZIGDYLEPSPFA-ICSRJNTNSA-N
Molecular Weight 347.499 g/mol
SMILES N1[C@](CCC[C@@]1(CCCCCCCOC(=O)OCc1ccccc1)[H])(C)[H]
SPLASH splash10-000b-8900000000-bba840bc9ab0ab6b135d
Source of Spectrum J-54-4095-42
Synonyms benzyl 7-[(2S,6S)-6-methylpiperidinyl]heptyl carbonate
Wiley ID 1340107