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[2S,2(2R),2(3S),6S]-N-Benzyl-2-[2,3-(dihydroxy)heptyl]-6-methylpioperidine
SpectraBase Compound ID GCRnWtUOGKI
InChI InChI=1S/C20H33NO2/c1-3-4-13-19(22)20(23)14-18-12-8-9-16(2)21(18)15-17-10-6-5-7-11-17/h5-7,10-11,16,18-20,22-23H,3-4,8-9,12-15H2,1-2H3/t16-,18-,19-,20?/m0/s1
InChIKey JDMCUEOLUWLFFI-SWYNNERLSA-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 8xjnJwG1B09
Name [2S,2(2R),2(3S),6S]-N-Benzyl-2-[2,3-(dihydroxy)heptyl]-6-methylpioperidine
Alternate Name(s) (3S)-1-[(2S,6S)-1-benzyl-6-methylpiperidinyl]-2,3-heptanediol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H33NO2
InChI InChI=1S/C20H33NO2/c1-3-4-13-19(22)20(23)14-18-12-8-9-16(2)21(18)15-17-10-6-5-7-11-17/h5-7,10-11,16,18-20,22-23H,3-4,8-9,12-15H2,1-2H3/t16-,18-,19-,20?/m0/s1
InChIKey JDMCUEOLUWLFFI-SWYNNERLSA-N
Molecular Weight 319.489 g/mol
SMILES O[C@](C(C[C@]1(N(Cc2ccccc2)[C@](CCC1)(C)[H])[H])O)(CCCC)[H]
SPLASH splash10-000l-7900000000-78da3c311002a8feef12
Source of Spectrum F-47-9346-27
Wiley ID 1319513