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3',3''-Dimethyl-1,5-(endo)-[2''-(ethoxycarbonyl)-1"-phenylprop-1"-enediyl]-1,5-diaza-dibenzo[3,4-c : 7,8-c']cyclooctane
SpectraBase Compound ID G3XZrFZAGbH
InChI InChI=1S/C28H28N2O2/c1-4-32-28(31)24-18-29-16-22-14-20(3)11-13-26(22)30(27(24)21-8-6-5-7-9-21)17-23-15-19(2)10-12-25(23)29/h5-15H,4,16-18H2,1-3H3/b27-24+
InChIKey DQPKJWGFICQTOB-SOYKGTTHSA-N
Mol Weight 424.54 g/mol
Molecular Formula C28H28N2O2
Exact Mass 424.215078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tm3uvQ7RNZ
Name 3',3''-Dimethyl-1,5-(endo)-[2''-(ethoxycarbonyl)-1"-phenylprop-1"-enediyl]-1,5-diaza-dibenzo[3,4-c : 7,8-c']cyclooctane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28N2O2
InChI InChI=1S/C28H28N2O2/c1-4-32-28(31)24-18-29-16-22-14-20(3)11-13-26(22)30(27(24)21-8-6-5-7-9-21)17-23-15-19(2)10-12-25(23)29/h5-15H,4,16-18H2,1-3H3/b27-24+
InChIKey DQPKJWGFICQTOB-SOYKGTTHSA-N
Molecular Weight 424.544 g/mol
SMILES c12N3\C(=C/(CN(Cc1cc(cc2)C)c1c(cc(cc1)C)C3)C(=O)OCC)c1ccccc1
SPLASH splash10-002f-9010100000-bacc37aa1c8f8bd9eeaa
Source of Spectrum D1-2006-1392-3
Wiley ID 1614088