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Cyclohexadecanecarboxylic acid, 5-nitro-2,16-dioxo-, methyl ester
SpectraBase Compound ID CNua6DdoiMD
InChI InChI=1S/C18H29NO6/c1-25-18(22)17-15(20)11-9-7-5-3-2-4-6-8-10-14(19(23)24)12-13-16(17)21/h14,17H,2-13H2,1H3
InChIKey VFBQYNJOMLAXNC-UHFFFAOYSA-N
Mol Weight 355.43 g/mol
Molecular Formula C18H29NO6
Exact Mass 355.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LgaYDeqlEcQ
Name Cyclohexadecanecarboxylic acid, 5-nitro-2,16-dioxo-, methyl ester
Alternate Name(s) Methyl 5-nitro-2,15-dioxocyclohexadecane-1-carboxylate Methyl 5-nitro-2,16-dioxocyclohexadecanecarboxylate
CAS Registry Number 86572-44-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H29NO6
InChI InChI=1S/C18H29NO6/c1-25-18(22)17-15(20)11-9-7-5-3-2-4-6-8-10-14(19(23)24)12-13-16(17)21/h14,17H,2-13H2,1H3
InChIKey VFBQYNJOMLAXNC-UHFFFAOYSA-N
Molecular Weight 355.431 g/mol
SMILES C1(N(=O)=O)CCC(C(C(=O)OC)C(=O)CCCCCCCCCC1)=O
SPLASH splash10-05mo-9110000000-56bbbf49f3cce7ad4cca
Source of Spectrum H-66-857-0
Wiley ID 1345194