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N-octylmorpholino 18-crown-6 ether
SpectraBase Compound ID 4ogA4d9R3v
InChI InChI=1S/C22H43NO6/c1-2-3-4-5-6-7-8-23-21-17-27-15-13-25-11-9-24-10-12-26-14-16-28-18-22(23)20-29-19-21/h21-22H,2-20H2,1H3
InChIKey CPMDXMGKQWKMRP-UHFFFAOYSA-N
Mol Weight 417.6 g/mol
Molecular Formula C22H43NO6
Exact Mass 417.309038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11qTBNronXK
Name N-octylmorpholino 18-crown-6 ether
Alternate Name(s) 21-octyl-3,6,9,12,15,19-hexaoxa-21-azabicyclo[15.3.1]henicosane
CAS Registry Number 117021-61-1
Comments Less than 3 mono-isotopic peaks
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Formula C22H43NO6
InChI InChI=1S/C22H43NO6/c1-2-3-4-5-6-7-8-23-21-17-27-15-13-25-11-9-24-10-12-26-14-16-28-18-22(23)20-29-19-21/h21-22H,2-20H2,1H3
InChIKey CPMDXMGKQWKMRP-UHFFFAOYSA-N
Molecular Weight 417.587 g/mol
SMILES C12N(C(COC2)COCCOCCOCCOCCOC1)CCCCCCCC
SPLASH splash10-014i-0009000000-fc185c690a2d05a413cd
Source of Spectrum J-53-5966-2
Wiley ID 1376834