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Cyclooctanepentanoic acid, 1-nitro-.beta.,2-dioxo-, methyl ester
SpectraBase Compound ID 774M93pVfQ0
InChI InChI=1S/C14H21NO6/c1-21-13(18)10-11(16)7-9-14(15(19)20)8-5-3-2-4-6-12(14)17/h2-10H2,1H3
InChIKey RAWVNXVQJJWCMJ-UHFFFAOYSA-N
Mol Weight 299.32 g/mol
Molecular Formula C14H21NO6
Exact Mass 299.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62vYnPsIA8Y
Name Cyclooctanepentanoic acid, 1-nitro-.beta.,2-dioxo-, methyl ester
Alternate Name(s) Methyl 3-oxo-5-(1-nitro-2-oxocylooctyl)pentanoate Methyl 5-(1-nitro-2-oxocyclooctyl)-3-oxopentanoate
CAS Registry Number 79745-52-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO6
InChI InChI=1S/C14H21NO6/c1-21-13(18)10-11(16)7-9-14(15(19)20)8-5-3-2-4-6-12(14)17/h2-10H2,1H3
InChIKey RAWVNXVQJJWCMJ-UHFFFAOYSA-N
Molecular Weight 299.323 g/mol
SMILES C1(N(=O)=O)(C(=O)CCCCCC1)CCC(CC(=O)OC)=O
SPLASH splash10-0aou-9300000000-f811933282cb65bd1336
Source of Spectrum H-66-856-0
Wiley ID 1301782