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N,N'-(2-dodecylpropane-1,3-diyl)bis(monoaza-9-crown-3)
SpectraBase Compound ID 3Um86DeiKzs
InChI InChI=1S/C27H54N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-27(25-28-13-17-30-21-22-31-18-14-28)26-29-15-19-32-23-24-33-20-16-29/h27H,2-26H2,1H3
InChIKey ABINLQDQMGYXLU-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C27H54N2O4
Exact Mass 470.408358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hxgkonSm1Q
Name N,N'-(2-dodecylpropane-1,3-diyl)bis(monoaza-9-crown-3)
Alternate Name(s) 7-[2-(hexahydro-7H-1,4,7-dioxazonin-7-ylmethyl)tetradecyl]hexahydro-5H-1,4,7-dioxazonine N,N'-(2-dodecylpropane-1,3-diyl)bis(1-aza-4,7-dioxacyclononane)
CAS Registry Number 105040-36-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H54N2O4
InChI InChI=1S/C27H54N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-27(25-28-13-17-30-21-22-31-18-14-28)26-29-15-19-32-23-24-33-20-16-29/h27H,2-26H2,1H3
InChIKey ABINLQDQMGYXLU-UHFFFAOYSA-N
Molecular Weight 470.739 g/mol
SMILES C(N1CCOCCOCC1)C(CN1CCOCCOCC1)CCCCCCCCCCCC
SPLASH splash10-00di-0900000000-5150b4e212fa4599d5bf
Source of Spectrum J-51-4977-0
Wiley ID 1392880