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2,7-Dihexylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
SpectraBase Compound ID GYr3wJLOKsb
InChI InChI=1S/C26H30N2O4/c1-3-5-7-9-15-27-23(29)17-11-13-19-22-20(14-12-18(21(17)22)24(27)30)26(32)28(25(19)31)16-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3
InChIKey QGDZMDFMUJURJD-UHFFFAOYSA-N
Mol Weight 434.54 g/mol
Molecular Formula C26H30N2O4
Exact Mass 434.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2R7AHPxjGee
Name 2,7-Dihexylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
Appearance Pale pink solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N2O4
InChI InChI=1S/C26H30N2O4/c1-3-5-7-9-15-27-23(29)17-11-13-19-22-20(14-12-18(21(17)22)24(27)30)26(32)28(25(19)31)16-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3
InChIKey QGDZMDFMUJURJD-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202100359
Molecular Weight 434.536 g/mol
SMILES C(CCN1C(c2c3c(C1=O)ccc1c3c(cc2)C(N(C1=O)CCCCCC)=O)=O)CCC
SPLASH splash10-001i-4145900000-de0c70b2069ca9fc958f
Source of Spectrum CCC-13-SM6-NDI2
Wiley ID 1854279