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Nonanoic acid, 6-methyl-6-nitro-3,7-dioxo-, methyl ester
SpectraBase Compound ID 2BUfbXXbORd
InChI InChI=1S/C11H17NO6/c1-4-9(14)11(2,12(16)17)6-5-8(13)7-10(15)18-3/h4-7H2,1-3H3
InChIKey IGUIHGBCQKDPFD-UHFFFAOYSA-N
Mol Weight 259.26 g/mol
Molecular Formula C11H17NO6
Exact Mass 259.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQkRS99FGFz
Name Nonanoic acid, 6-methyl-6-nitro-3,7-dioxo-, methyl ester
Alternate Name(s) Methyl 6-methyl-6-nitro-3,7-dioxononanoate Methylester of 6-methyl-6-nitro-3,7-dioxo-nonanoic acid
CAS Registry Number 80213-52-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO6
InChI InChI=1S/C11H17NO6/c1-4-9(14)11(2,12(16)17)6-5-8(13)7-10(15)18-3/h4-7H2,1-3H3
InChIKey IGUIHGBCQKDPFD-UHFFFAOYSA-N
Molecular Weight 259.258 g/mol
SMILES C(N(=O)=O)(CCC(CC(=O)OC)=O)(C(=O)CC)C
SPLASH splash10-0a4i-9000000000-853e32cd6fb22dc59315
Source of Spectrum H-64-1863-0
Wiley ID 1262514