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(2S)-2-[(1S)-3-methyl-1-(nitromethyl)butyl]cyclohexanone
SpectraBase Compound ID B5hIfDZXO0T
InChI InChI=1S/C12H21NO3/c1-9(2)7-10(8-13(15)16)11-5-3-4-6-12(11)14/h9-11H,3-8H2,1-2H3/t10-,11+/m1/s1
InChIKey KSGZCWSVEDLZLZ-MNOVXSKESA-N
Mol Weight 227.3 g/mol
Molecular Formula C12H21NO3
Exact Mass 227.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFHJY6gFwwK
Name (2S)-2-[(1S)-3-methyl-1-(nitromethyl)butyl]cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21NO3
InChI InChI=1S/C12H21NO3/c1-9(2)7-10(8-13(15)16)11-5-3-4-6-12(11)14/h9-11H,3-8H2,1-2H3/t10-,11+/m1/s1
InChIKey KSGZCWSVEDLZLZ-MNOVXSKESA-N
Molecular Weight 227.304 g/mol
SMILES C(N(=O)=O)[C@]([C@]1(C(=O)CCCC1)[H])(CC(C)C)[H]
SPLASH splash10-0002-9200000000-47101b50053541be57e2
Source of Spectrum H-82-1839-4
Synonyms (2S)-2-[(2S)-4-methyl-1-nitro-pentan-2-yl]cyclohexan-1-one (2S)-2-[(2S)-4-methyl-1-nitropentan-2-yl]-1-cyclohexanone
Wiley ID 815684