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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 n6qVjq8Fm7
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
GC Column (25 m x 0.2 mm, film thickness 0.33 micrometer)
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 10.1021/acs.joc.2c02172
Molecular Weight 434.536 g/mol
Quality 184
SMILES C(CCCCC)N1C(C=2C=CC=3C(N(C(C=4C3C2C(C1=O)=CC4)=O)CCCCCC)=O)=O
SPLASH splash10-001i-4145900000-5fc8ec9cb38879fb3e7e
Source of Spectrum JOC-88-714-NDI (DOI: 10.1021/acs.joc.2c02172)
Wiley ID 1912608