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2,7-Dioctylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
SpectraBase Compound ID KYD41ieNnY0
InChI InChI=1S/C30H38N2O4/c1-3-5-7-9-11-13-19-31-27(33)21-15-17-23-26-24(18-16-22(25(21)26)28(31)34)30(36)32(29(23)35)20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3
InChIKey UFXDWLWIQFAGBE-UHFFFAOYSA-N
Mol Weight 490.6 g/mol
Molecular Formula C30H38N2O4
Exact Mass 490.283158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0O3R1oSIxE
Name 2,7-Dioctylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
Appearance Pale brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H38N2O4
InChI InChI=1S/C30H38N2O4/c1-3-5-7-9-11-13-19-31-27(33)21-15-17-23-26-24(18-16-22(25(21)26)28(31)34)30(36)32(29(23)35)20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3
InChIKey UFXDWLWIQFAGBE-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202100359
Molecular Weight 490.644 g/mol
SMILES C(CCN1C(c2c3c(C1=O)ccc1c3c(cc2)C(N(C1=O)CCCCCCCC)=O)=O)CCCCC
SPLASH splash10-00kf-6044900000-35b9dcaa009d7e51fbb6
Source of Spectrum CCC-13-SM7-NDI3
Wiley ID 1854280