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N,N'-(2-dodecylpropane-1,3-diyl)bis(monoaza-15-crown-5)
SpectraBase Compound ID G6jUlPSd7Fl
InChI InChI=1S/C35H70N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-35(33-36-13-17-38-21-25-42-29-30-43-26-22-39-18-14-36)34-37-15-19-40-23-27-44-31-32-45-28-24-41-20-16-37/h35H,2-34H2,1H3
InChIKey OFZOCKWRDQHDFO-UHFFFAOYSA-N
Mol Weight 647.0 g/mol
Molecular Formula C35H70N2O8
Exact Mass 646.513217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpWfi2wJ81b
Name N,N'-(2-dodecylpropane-1,3-diyl)bis(monoaza-15-crown-5)
Alternate Name(s) 13-[2-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-ylmethyl)tetradecyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane N,N'-(2-dodecylpropane-1,3-diyl)bis(1-aza-4,7,10,13-tetraoxacyclopentadecane)
CAS Registry Number 102069-56-7
Comments Less than 3 mono-isotopic peaks
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Formula C35H70N2O8
InChI InChI=1S/C35H70N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-35(33-36-13-17-38-21-25-42-29-30-43-26-22-39-18-14-36)34-37-15-19-40-23-27-44-31-32-45-28-24-41-20-16-37/h35H,2-34H2,1H3
InChIKey OFZOCKWRDQHDFO-UHFFFAOYSA-N
Molecular Weight 646.951 g/mol
SMILES C(N1CCOCCOCCOCCOCC1)C(CN1CCOCCOCCOCCOCC1)CCCCCCCCCCCC
SPLASH splash10-0a4i-0090000000-3752cd84fe9b52fe4ea7
Source of Spectrum J-51-4977-0
Wiley ID 1412914