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(3R*,4S*)-1-tert-Butyl-3-ethyl-4-(iodomethyl)piperidin-2-one
SpectraBase Compound ID 7CZi7yxfhRg
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-/m1/s1
InChIKey ZRAROAFAVHBXRW-NXEZZACHSA-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 ILtqVPve6PB
Name (3R*,4S*)-1-tert-Butyl-3-ethyl-4-(iodomethyl)piperidin-2-one
Alternate Name(s) (3R,4S)-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-/m1/s1
InChIKey ZRAROAFAVHBXRW-NXEZZACHSA-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-9402000000-b367077df7026c7131e0
Source of Spectrum J-81-2448-trans_16b
Wiley ID 1804399