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trans-N-Boc-2-(2-methylphenyl)-6-(1-methylethyl)-4-piperidinone
SpectraBase Compound ID IplyZsJ0edL
InChI InChI=1S/C20H29NO3/c1-13(2)17-11-15(22)12-18(16-10-8-7-9-14(16)3)21(17)19(23)24-20(4,5)6/h7-10,13,17-18H,11-12H2,1-6H3/t17-,18-/m0/s1
InChIKey PTXZYQKWMJDRFW-ROUUACIJSA-N
Mol Weight 331.46 g/mol
Molecular Formula C20H29NO3
Exact Mass 331.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HpnFYbfK0OA
Name trans-N-Boc-2-(2-methylphenyl)-6-(1-methylethyl)-4-piperidinone
Alternate Name(s) (2S,6S)-tert-butyl 2-isopropyl-4-oxo-6-(o-tolyl)piperidine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO3
InChI InChI=1S/C20H29NO3/c1-13(2)17-11-15(22)12-18(16-10-8-7-9-14(16)3)21(17)19(23)24-20(4,5)6/h7-10,13,17-18H,11-12H2,1-6H3/t17-,18-/m0/s1
InChIKey PTXZYQKWMJDRFW-ROUUACIJSA-N
Literature Reference DOI 10.1021/jo400936z
Molecular Weight 331.456 g/mol
SMILES C1[C@](N(C(=O)OC(C)(C)C)[C@](c2ccccc2C)(CC1=O)[H])(C(C)C)[H]
SPLASH splash10-052s-5920000000-5dd4bbcf0ffe30a4fedb
Source of Spectrum J-78-8461-11b
Wiley ID 1745571