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trans-N-Boc-2-(2-methylphenyl)-6-butyl-4-piperidinone
SpectraBase Compound ID FaAYcJyLbek
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+/m1/s1
InChIKey HRTIQWWOWGXPAK-APWZRJJASA-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 G2uiamqY1vg
Name trans-N-Boc-2-(2-methylphenyl)-6-butyl-4-piperidinone
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+/m1/s1
InChIKey HRTIQWWOWGXPAK-APWZRJJASA-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 splash10-00kk-2910000000-47f614dfa58c309e517c
Source of Spectrum J-78-8461-11c
Synonyms (2R,6S)-tert-butyl 2-butyl-4-oxo-6-(o-tolyl)piperidine-1-carboxylate
Wiley ID 1745572