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(3R*,4R*)-1-tert-Butyl-3-ethyl-4-(iodomethyl)piperidin-2-one
SpectraBase Compound ID 84i49zK8gBS
InChI InChI=1S/C12H22INO/c1-5-10-9(8-13)6-7-14(11(10)15)12(2,3)4/h9-10H,5-8H2,1-4H3/t9-,10+/m0/s1
InChIKey ZRAROAFAVHBXRW-VHSXEESVSA-N
Mol Weight 323.22 g/mol
Molecular Formula C12H22INO
Exact Mass 323.074609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9FzjL4aHnv
Name (3R*,4R*)-1-tert-Butyl-3-ethyl-4-(iodomethyl)piperidin-2-one
Alternate Name(s) (3R,4R)-1-(tert-butyl)-3-ethyl-4-(iodomethyl)piperidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22INO
InChI InChI=1S/C12H22INO/c1-5-10-9(8-13)6-7-14(11(10)15)12(2,3)4/h9-10H,5-8H2,1-4H3/t9-,10+/m0/s1
InChIKey ZRAROAFAVHBXRW-VHSXEESVSA-N
Literature Reference DOI 10.1021/acs.joc.6b00008
Molecular Weight 323.218 g/mol
SMILES C1(N(CC[C@]([C@]1(CC)[H])(CI)[H])C(C)(C)C)=O
SPLASH splash10-0a4i-9212000000-d3df91be7cda7b71f3de
Source of Spectrum J-81-2447-cis_16b
Wiley ID 1804393