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Cyclododecanepentanoic acid, 1-nitro-.beta.,2-dioxo-, methyl ester
SpectraBase Compound ID rio7j37Qkh
InChI InChI=1S/C18H29NO6/c1-25-17(22)14-15(20)11-13-18(19(23)24)12-9-7-5-3-2-4-6-8-10-16(18)21/h2-14H2,1H3
InChIKey JEEFOBSATXHYDG-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 BghO7bsZ3ci
Name Cyclododecanepentanoic acid, 1-nitro-.beta.,2-dioxo-, methyl ester
CAS Registry Number 86572-30-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H29NO6
InChI InChI=1S/C18H29NO6/c1-25-17(22)14-15(20)11-13-18(19(23)24)12-9-7-5-3-2-4-6-8-10-16(18)21/h2-14H2,1H3
InChIKey JEEFOBSATXHYDG-UHFFFAOYSA-N
Molecular Weight 355.431 g/mol
SMILES C1(N(=O)=O)(C(=O)CCCCCCCCCC1)CCC(CC(=O)OC)=O
SPLASH splash10-05u6-9100000000-f787a2ee3559def62866
Source of Spectrum H-66-856-0
Synonyms Methyl 3-oxo-5-(1-nitro-2-oxocyclododecyl)pentanoate Methyl 5-(1-nitro-2-oxocyclododecyl)-3-oxopentanoate
Wiley ID 1345193