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(4S*,5R*)-1-tert-Butyl-4-(iodomethyl)-5-methylpiperidin-2-one
SpectraBase Compound ID 90l3MHTXG8K
InChI InChI=1S/C11H20INO/c1-8-7-13(11(2,3)4)10(14)5-9(8)6-12/h8-9H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKey NLZQJCCHIQAVKG-DTWKUNHWSA-N
Mol Weight 309.19 g/mol
Molecular Formula C11H20INO
Exact Mass 309.058959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35MIf0UbH10
Name (4S*,5R*)-1-tert-Butyl-4-(iodomethyl)-5-methylpiperidin-2-one
Alternate Name(s) (4S,5R)-1-(tert-butyl)-4-(iodomethyl)-5-methylpiperidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20INO
InChI InChI=1S/C11H20INO/c1-8-7-13(11(2,3)4)10(14)5-9(8)6-12/h8-9H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKey NLZQJCCHIQAVKG-DTWKUNHWSA-N
Literature Reference DOI 10.1021/acs.joc.6b00008
Molecular Weight 309.191 g/mol
SMILES C1(N(C[C@@]([C@](C1)(CI)[H])(C)[H])C(C)(C)C)=O
SPLASH splash10-001v-9000000000-c0f9a240945dd7118693
Source of Spectrum J-81-2448-trans_18a
Wiley ID 1804400