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Cyclododecanepentanoic acid, 1-nitro-.beta.,2-dioxo-, phenylmethyl ester
SpectraBase Compound ID 6xavXcwQQgy
InChI InChI=1S/C24H33NO6/c26-21(18-23(28)31-19-20-12-8-7-9-13-20)15-17-24(25(29)30)16-11-6-4-2-1-3-5-10-14-22(24)27/h7-9,12-13H,1-6,10-11,14-19H2
InChIKey USJLEXPPQZTXID-UHFFFAOYSA-N
Mol Weight 431.5 g/mol
Molecular Formula C24H33NO6
Exact Mass 431.230788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XkSr0Os6Em
Name Cyclododecanepentanoic acid, 1-nitro-.beta.,2-dioxo-, phenylmethyl ester
Alternate Name(s) Benzyl 3-oxo-5-(nitro-2-oxocyclododecyl)pentanoate benzyl 5-(1-nitro-2-oxocyclododecyl)-3-oxopentanoate
CAS Registry Number 86572-33-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H33NO6
InChI InChI=1S/C24H33NO6/c26-21(18-23(28)31-19-20-12-8-7-9-13-20)15-17-24(25(29)30)16-11-6-4-2-1-3-5-10-14-22(24)27/h7-9,12-13H,1-6,10-11,14-19H2
InChIKey USJLEXPPQZTXID-UHFFFAOYSA-N
Molecular Weight 431.529 g/mol
SMILES C1(N(=O)=O)(C(=O)CCCCCCCCCC1)CCC(CC(=O)OCc1ccccc1)=O
SPLASH splash10-05tf-9300000000-08d3bb420cf7133a8acf
Source of Spectrum H-66-858-0
Wiley ID 1381981