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(3R*,4R*,5R*)-1-tert-Butyl-4-(iodomethyl)-3-isopropyl-5-methylpiperidin-2-one
SpectraBase Compound ID CHd6czAyNXE
InChI InChI=1S/C14H26INO/c1-9(2)12-11(7-15)10(3)8-16(13(12)17)14(4,5)6/h9-12H,7-8H2,1-6H3/t10-,11+,12+/m0/s1
InChIKey ZPYIAFDQHYZYKU-QJPTWQEYSA-N
Mol Weight 351.27 g/mol
Molecular Formula C14H26INO
Exact Mass 351.105909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1p1t6yHoMi
Name (3R*,4R*,5R*)-1-tert-Butyl-4-(iodomethyl)-3-isopropyl-5-methylpiperidin-2-one
Alternate Name(s) (3R,4R,5R)-1-(tert-butyl)-4-(iodomethyl)-3-isopropyl-5-methylpiperidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26INO
InChI InChI=1S/C14H26INO/c1-9(2)12-11(7-15)10(3)8-16(13(12)17)14(4,5)6/h9-12H,7-8H2,1-6H3/t10-,11+,12+/m0/s1
InChIKey ZPYIAFDQHYZYKU-QJPTWQEYSA-N
Literature Reference DOI 10.1021/acs.joc.6b00008
Molecular Weight 351.272 g/mol
SMILES C1(N(C[C@@]([C@]([C@]1(C(C)C)[H])(CI)[H])(C)[H])C(C)(C)C)=O
SPLASH splash10-05d0-3953000000-3527b3564f49d71859db
Source of Spectrum J-81-2449-22
Wiley ID 1804389