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(3R*,4R*)-1-tert-Butyl-3-cyclohexyl-4-(iodomethyl)piperidin-2-one
SpectraBase Compound ID KnvQHlkHrDV
InChI InChI=1S/C16H28INO/c1-16(2,3)18-10-9-13(11-17)14(15(18)19)12-7-5-4-6-8-12/h12-14H,4-11H2,1-3H3/t13-,14+/m0/s1
InChIKey OJJBAVLUGWSWSG-UONOGXRCSA-N
Mol Weight 377.31 g/mol
Molecular Formula C16H28INO
Exact Mass 377.12156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6N9LOJabJHE
Name (3R*,4R*)-1-tert-Butyl-3-cyclohexyl-4-(iodomethyl)piperidin-2-one
Alternate Name(s) (3R,4R)-1-(tert-butyl)-3-cyclohexyl-4-(iodomethyl)piperidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28INO
InChI InChI=1S/C16H28INO/c1-16(2,3)18-10-9-13(11-17)14(15(18)19)12-7-5-4-6-8-12/h12-14H,4-11H2,1-3H3/t13-,14+/m0/s1
InChIKey OJJBAVLUGWSWSG-UONOGXRCSA-N
Literature Reference DOI 10.1021/acs.joc.6b00008
Molecular Weight 377.310 g/mol
SMILES C1(N(CC[C@]([C@]1(C1CCCCC1)[H])(CI)[H])C(C)(C)C)=O
SPLASH splash10-02t9-4900000000-9726b84e3651f098ddc4
Source of Spectrum J-81-2448-cis_16e
Wiley ID 1804396