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cis-N-Boc-2-(2-methylphenyl)-6-butyl-4-piperidinone
SpectraBase Compound ID DedjOIAvwhF
InChI InChI=1S/C21H31NO3/c1-6-7-11-16-13-17(23)14-19(18-12-9-8-10-15(18)2)22(16)20(24)25-21(3,4)5/h8-10,12,16,19H,6-7,11,13-14H2,1-5H3/t16-,19-/m0/s1
InChIKey HRTIQWWOWGXPAK-LPHOPBHVSA-N
Mol Weight 345.48 g/mol
Molecular Formula C21H31NO3
Exact Mass 345.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31UGg7BZbBe
Name cis-N-Boc-2-(2-methylphenyl)-6-butyl-4-piperidinone
Alternate Name(s) (2S,6S)-tert-butyl 2-butyl-4-oxo-6-(o-tolyl)piperidine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO3
InChI InChI=1S/C21H31NO3/c1-6-7-11-16-13-17(23)14-19(18-12-9-8-10-15(18)2)22(16)20(24)25-21(3,4)5/h8-10,12,16,19H,6-7,11,13-14H2,1-5H3/t16-,19-/m0/s1
InChIKey HRTIQWWOWGXPAK-LPHOPBHVSA-N
Literature Reference DOI 10.1021/jo400936z
Molecular Weight 345.483 g/mol
SMILES C1[C@@](N(C(=O)OC(C)(C)C)[C@](c2ccccc2C)(CC1=O)[H])(CCCC)[H]
SPLASH splash10-014j-3900000000-87e1e3f1f1505c0ecabc
Source of Spectrum J-78-8461-12c
Wiley ID 1745573