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trans-N-Boc-2-(2-methylphenyl)-6-butyl-4-piperidinol
SpectraBase Compound ID Lk3ZMFhNsX5
InChI InChI=1S/C21H33NO3/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/h8-10,12,16-17,19,23H,6-7,11,13-14H2,1-5H3/t16-,17-,19+/m1/s1
InChIKey CSSAMTBKGQCWEA-LMMKCTJWSA-N
Mol Weight 347.5 g/mol
Molecular Formula C21H33NO3
Exact Mass 347.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KsAasm6dgK
Name trans-N-Boc-2-(2-methylphenyl)-6-butyl-4-piperidinol
Alternate Name(s) (2R,4R,6S)-tert-butyl 2-butyl-4-hydroxy-6-(o-tolyl)piperidine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33NO3
InChI InChI=1S/C21H33NO3/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/h8-10,12,16-17,19,23H,6-7,11,13-14H2,1-5H3/t16-,17-,19+/m1/s1
InChIKey CSSAMTBKGQCWEA-LMMKCTJWSA-N
Literature Reference DOI 10.1021/jo400936z
Molecular Weight 347.499 g/mol
SMILES O[C@]1(C[C@@](c2ccccc2C)(N(C(=O)OC(C)(C)C)[C@@](C1)(CCCC)[H])[H])[H]
SPLASH splash10-0a4i-1290000000-9b585576de4484867bbf
Source of Spectrum J-78-8462-15
Wiley ID 1745577