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(E)-3,15-diaza-1,2-dicyano-[3-(1-pyrenylmethyl)]-[15-(2-pyridylmethyl)]-6,9,12-trioxacyclopentadecene
SpectraBase Compound ID E11a6jwiLVE
InChI InChI=1S/C35H33N5O3/c36-22-32-33(23-37)40(25-30-6-1-2-13-38-30)15-17-42-19-21-43-20-18-41-16-14-39(32)24-29-10-9-28-8-7-26-4-3-5-27-11-12-31(29)35(28)34(26)27/h1-13H,14-21,24-25H2/b33-32+
InChIKey JEVRZKNBAQEPIL-ULIFNZDWSA-N
Mol Weight 571.7 g/mol
Molecular Formula C35H33N5O3
Exact Mass 571.25834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aQ6ELn3lUg
Name (E)-3,15-diaza-1,2-dicyano-[3-(1-pyrenylmethyl)]-[15-(2-pyridylmethyl)]-6,9,12-trioxacyclopentadecene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H33N5O3
InChI InChI=1S/C35H33N5O3/c36-22-32-33(23-37)40(25-30-6-1-2-13-38-30)15-17-42-19-21-43-20-18-41-16-14-39(32)24-29-10-9-28-8-7-26-4-3-5-27-11-12-31(29)35(28)34(26)27/h1-13H,14-21,24-25H2/b33-32+
InChIKey JEVRZKNBAQEPIL-ULIFNZDWSA-N
Instrument Name Thermo Quest SSQ 713
Ionization Type EI
Literature Reference DOI 10.1002/hlca.202100028
Molecular Weight 571.681 g/mol
SMILES c1c2c3c4c(c1)c(CN1\C(=C/(N(CCOCCOCCOCC1)Cc1ncccc1)C#N)C#N)ccc4ccc3ccc2
SPLASH splash10-014i-0091000000-34f40aa2aee54ab62a49
Source of Spectrum H-104-SM11-16
Thin-Layer Chromatography Rf = 0.38 (EE/MeOH, 9:1)
Wiley ID 1867480