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(E)-3,12-diaza-1,2-dicyano-[3-(9-anthrylmethyl)]-[12-(2-pyridylmethyl)]-6,9-dioxacyclododecene
SpectraBase Compound ID 42NOH5MEBZg
InChI InChI=1S/C31H29N5O2/c32-20-30-31(21-33)36(14-16-38-18-17-37-15-13-35(30)22-26-9-5-6-12-34-26)23-29-27-10-3-1-7-24(27)19-25-8-2-4-11-28(25)29/h1-12,19H,13-18,22-23H2/b31-30+
InChIKey QRHHTOHPYRJHQF-NVQSTNCTSA-N
Mol Weight 503.61 g/mol
Molecular Formula C31H29N5O2
Exact Mass 503.232125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5OESIEM9pls
Name (E)-3,12-diaza-1,2-dicyano-[3-(9-anthrylmethyl)]-[12-(2-pyridylmethyl)]-6,9-dioxacyclododecene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H29N5O2
InChI InChI=1S/C31H29N5O2/c32-20-30-31(21-33)36(14-16-38-18-17-37-15-13-35(30)22-26-9-5-6-12-34-26)23-29-27-10-3-1-7-24(27)19-25-8-2-4-11-28(25)29/h1-12,19H,13-18,22-23H2/b31-30+
InChIKey QRHHTOHPYRJHQF-NVQSTNCTSA-N
Instrument Name Thermo Quest SSQ 711
Ionization Type EI
Literature Reference DOI 10.1002/hlca.202100028
Molecular Weight 503.606 g/mol
SMILES c1ccc2c(c1)c(CN1\C(=C/(C#N)N(CCOCCOCC1)Cc1ncccc1)C#N)c1c(c2)cccc1
SPLASH splash10-0006-0901000000-d637072b704ecb469734
Source of Spectrum H-104-SM9-8
Thin-Layer Chromatography Rf = 0.51 (EE/MeOH, 9:1)
Wiley ID 1867481