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16-(2-Benzyloxyethoxy)-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene
SpectraBase Compound ID 9L3cFDNJU9U
InChI InChI=1S/C22H31N3O4/c1-2-4-19(5-3-1)18-28-12-13-29-22-14-20-16-23-6-8-26-10-11-27-9-7-24-17-21(15-22)25-20/h1-5,14-15,23-24H,6-13,16-18H2
InChIKey PCOMMYLKIPYZSL-UHFFFAOYSA-N
Mol Weight 401.51 g/mol
Molecular Formula C22H31N3O4
Exact Mass 401.231456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9pchgsOfIQa
Name 16-(2-Benzyloxyethoxy)-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31N3O4
InChI InChI=1S/C22H31N3O4/c1-2-4-19(5-3-1)18-28-12-13-29-22-14-20-16-23-6-8-26-10-11-27-9-7-24-17-21(15-22)25-20/h1-5,14-15,23-24H,6-13,16-18H2
InChIKey PCOMMYLKIPYZSL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19923340803
Molecular Weight 401.507 g/mol
SMILES N1CCOCCOCCNCc2cc(cc(C1)n2)OCCOCc1ccccc1
SPLASH splash10-0006-9040200000-636f29fa1b17cbf95ec9
Source of Spectrum JF-334-659-6
Synonyms 1(4)-(2-(benzyloxy)ethoxy)-6,9-dioxa-3,12-diaza-1(2,6)-pyridinacyclotridecaphane
Wiley ID 1791860