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(5-dodecyl-3,7-dioxanonane-1,9-diyl)bis(monoaza-12-crown-4)
SpectraBase Compound ID IhMuXm2GvEo
InChI InChI=1S/C35H70N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-35(33-44-23-17-36-13-19-38-25-29-42-30-26-39-20-14-36)34-45-24-18-37-15-21-40-27-31-43-32-28-41-22-16-37/h35H,2-34H2,1H3
InChIKey GNGIGNYVUJJKDF-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 88UdNkbPecH
Name (5-dodecyl-3,7-dioxanonane-1,9-diyl)bis(monoaza-12-crown-4)
Alternate Name(s) (5-dodecyl-3,7-dioxanonane-1,9-diyl)bis(1-aza-4,7,10-trioxacyclododecane) 10-{2-[(2-{[2-(1,4,7-trioxa-10-azacyclododecan-10-yl)ethoxy]methyl}tetradecyl)oxy]ethyl}-1,4,7-trioxa-10-azacyclododecane
CAS Registry Number 105064-10-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H70N2O8
InChI InChI=1S/C35H70N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-35(33-44-23-17-36-13-19-38-25-29-42-30-26-39-20-14-36)34-45-24-18-37-15-21-40-27-31-43-32-28-41-22-16-37/h35H,2-34H2,1H3
InChIKey GNGIGNYVUJJKDF-UHFFFAOYSA-N
Molecular Weight 646.951 g/mol
SMILES C(N1CCOCCOCCOCC1)COCC(COCCN1CCOCCOCCOCC1)CCCCCCCCCCCC
SPLASH splash10-000i-0900000000-6c50642e7a916f01c6d4
Source of Spectrum J-51-4978-0
Wiley ID 1412915