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N,N'-(5-dodecyl-5-methyl-4,6-dioxo-3,7-dioxanonane-1,9-diyl)bis(monoaza-12-crown-4)
SpectraBase Compound ID C2pvuKQKzNf
InChI InChI=1S/C36H68N2O10/c1-3-4-5-6-7-8-9-10-11-12-13-36(2,34(39)47-24-18-37-14-20-41-26-30-45-31-27-42-21-15-37)35(40)48-25-19-38-16-22-43-28-32-46-33-29-44-23-17-38/h3-33H2,1-2H3
InChIKey AVERYESKHQJJAA-UHFFFAOYSA-N
Mol Weight 688.9 g/mol
Molecular Formula C36H68N2O10
Exact Mass 688.487396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJuNZ1q0Gcl
Name N,N'-(5-dodecyl-5-methyl-4,6-dioxo-3,7-dioxanonane-1,9-diyl)bis(monoaza-12-crown-4)
Alternate Name(s) 2,2-bis[[2-(1-aza-4,7,10-trioxacyclododecyl)ethoxy]carbonyl]tetradecane bis[2-(1,4,7-trioxa-10-azacyclododecan-10-yl)ethyl]2-dodecyl-2-methylmalonate
CAS Registry Number 105040-40-2
Comments Less than 3 mono-isotopic peaks
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Formula C36H68N2O10
InChI InChI=1S/C36H68N2O10/c1-3-4-5-6-7-8-9-10-11-12-13-36(2,34(39)47-24-18-37-14-20-41-26-30-45-31-27-42-21-15-37)35(40)48-25-19-38-16-22-43-28-32-46-33-29-44-23-17-38/h3-33H2,1-2H3
InChIKey AVERYESKHQJJAA-UHFFFAOYSA-N
Molecular Weight 688.944 g/mol
SMILES C(C(=O)OCCN1CCOCCOCCOCC1)(C(=O)OCCN1CCOCCOCCOCC1)(CCCCCCCCCCCC)C
SPLASH splash10-000i-0900000000-a06940a8d694ecb4fb3c
Source of Spectrum J-51-4978-0
Wiley ID 1414612