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[2S,2(2R),2(3S),6S]-2-[3-Benzyloxy)-2-hydroxyheptyl]-6-methylpiperidine
SpectraBase Compound ID 6CP3cBcTNhR
InChI InChI=1S/C20H33NO2/c1-3-4-13-20(23-15-17-10-6-5-7-11-17)19(22)14-18-12-8-9-16(2)21-18/h5-7,10-11,16,18-22H,3-4,8-9,12-15H2,1-2H3/t16-,18-,19+,20-/m0/s1
InChIKey WSSSQCCCWVFMED-FFGOWVMKSA-N
Mol Weight 319.5 g/mol
Molecular Formula C20H33NO2
Exact Mass 319.251129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 678Rvfe6fnm
Name [2S,2(2R),2(3S),6S]-2-[3-Benzyloxy)-2-hydroxyheptyl]-6-methylpiperidine
Alternate Name(s) (2R,3S)-3-(benzyloxy)-1-[(2S,6S)-6-methylpiperidinyl]-2-heptanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H33NO2
InChI InChI=1S/C20H33NO2/c1-3-4-13-20(23-15-17-10-6-5-7-11-17)19(22)14-18-12-8-9-16(2)21-18/h5-7,10-11,16,18-22H,3-4,8-9,12-15H2,1-2H3/t16-,18-,19+,20-/m0/s1
InChIKey WSSSQCCCWVFMED-FFGOWVMKSA-N
Molecular Weight 319.489 g/mol
SMILES N1[C@](CCC[C@]1(C[C@]([C@@](OCc1ccccc1)(CCCC)[H])(O)[H])[H])(C)[H]
SPLASH splash10-0006-0930000000-50bb29060c4ee818eace
Source of Spectrum F-47-9344-23
Wiley ID 1319512