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N,N'-(5-dodecyl-5-methyl-4,6-dioxo-3,7-dioxanonane-1,9-diyl)bis(monoaza-15-crown-5)
SpectraBase Compound ID 5aX4Mq97FoM
InChI InChI=1S/C40H76N2O12/c1-3-4-5-6-7-8-9-10-11-12-13-40(2,38(43)53-24-18-41-14-20-45-26-30-49-34-35-50-31-27-46-21-15-41)39(44)54-25-19-42-16-22-47-28-32-51-36-37-52-33-29-48-23-17-42/h3-37H2,1-2H3
InChIKey NFCXVVNOLIQHMP-UHFFFAOYSA-N
Mol Weight 777.0 g/mol
Molecular Formula C40H76N2O12
Exact Mass 776.539826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOIuEEZ7uLM
Name N,N'-(5-dodecyl-5-methyl-4,6-dioxo-3,7-dioxanonane-1,9-diyl)bis(monoaza-15-crown-5)
CAS Registry Number 105040-41-3
Comments Less than 3 mono-isotopic peaks
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Formula C40H76N2O12
InChI InChI=1S/C40H76N2O12/c1-3-4-5-6-7-8-9-10-11-12-13-40(2,38(43)53-24-18-41-14-20-45-26-30-49-34-35-50-31-27-46-21-15-41)39(44)54-25-19-42-16-22-47-28-32-51-36-37-52-33-29-48-23-17-42/h3-37H2,1-2H3
InChIKey NFCXVVNOLIQHMP-UHFFFAOYSA-N
Molecular Weight 777.050 g/mol
SMILES C(C(=O)OCCN1CCOCCOCCOCCOCC1)(C(=O)OCCN1CCOCCOCCOCCOCC1)(CCCCCCCCCCCC)C
SPLASH splash10-001i-0090000000-aeb889f23c747ddf4540
Source of Spectrum J-51-4978-0
Synonyms (2,2-bis[[2-(1-aza-4,7,10,13-tetraoxacyclopentadecyl)ethoxy]carbonyl]tetradecane bis[2-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)ethyl]2-dodecyl-2-methylmalonate
Wiley ID 1416821