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cis-N-Benzyl-2-methyl-3-acetoxy-4-methylenepiperidine isomer
SpectraBase Compound ID F2YXXzIthoP
InChI InChI=1S/C16H21NO2/c1-12-9-10-17(11-15-7-5-4-6-8-15)13(2)16(12)19-14(3)18/h4-8,13,16H,1,9-11H2,2-3H3/t13-,16-/m0/s1
InChIKey JRANFZUPAVXEMX-BBRMVZONSA-N
Mol Weight 259.35 g/mol
Molecular Formula C16H21NO2
Exact Mass 259.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dwpLDW3yMb
Name cis-N-Benzyl-2-methyl-3-acetoxy-4-methylenepiperidine isomer
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Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-12-9-10-17(11-15-7-5-4-6-8-15)13(2)16(12)19-14(3)18/h4-8,13,16H,1,9-11H2,2-3H3/t13-,16-/m0/s1
InChIKey JRANFZUPAVXEMX-BBRMVZONSA-N
Molecular Weight 259.349 g/mol
SMILES [C@@]1(N(CCC([C@@]1(OC(=O)C)[H])=C)Cc1ccccc1)(C)[H]
SPLASH splash10-0a4i-0930000000-f339c301091ac5c89ee1
Source of Spectrum J-63-852-39
Synonyms Acetic acid [(2S,3S)-2-methyl-4-methylene-1-(phenylmethyl)-3-piperidinyl] ester [(2S,3S)-1-benzyl-2-methyl-4-methylidenepiperidin-3-yl] acetate [(2S,3S)-1-benzyl-2-methyl-4-methylene-3-piperidyl] acetate [(2S,3S)-2-methyl-4-methylidene-1-(phenylmethyl)piperidin-3-yl] ethanoate
Wiley ID 1277336