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2-NITRO-2-(3'-OXO-BUTYL)-CYCLODODECANONE
SpectraBase Compound ID ArevPaSmvlg
InChI InChI=1S/C16H27NO4/c1-14(18)11-13-16(17(20)21)12-9-7-5-3-2-4-6-8-10-15(16)19/h2-13H2,1H3
InChIKey FXLBARZAGYLPBK-UHFFFAOYSA-N
Mol Weight 297.4 g/mol
Molecular Formula C16H27NO4
Exact Mass 297.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eh1ePkZz7gw
Name 2-Nitro-2-(3-oxobutyl)cyclododecanone
Alternate Name(s) 2-Nitro-2-(3-oxobutyl)-1-cyclododecanone 2-Nitro-2-(3-oxobutyl)cyclododecan-1-one 2-Nitro-2-(3-oxidanylidenebutyl)cyclododecan-1-one
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Formula C16H27NO4
InChI InChI=1S/C16H27NO4/c1-14(18)11-13-16(17(20)21)12-9-7-5-3-2-4-6-8-10-15(16)19/h2-13H2,1H3
InChIKey FXLBARZAGYLPBK-UHFFFAOYSA-N
Molecular Weight 297.395 g/mol
SMILES C1(N(=O)=O)(C(=O)CCCCCCCCCC1)CCC(=O)C
SPLASH splash10-0006-9000000000-5dbccf3fbc06882fbce5
Source of Spectrum H-66-1523-0
Wiley ID 1300094