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2-octyl-4-phenyl-benzo[de]isoquinoline-1,3-dione
SpectraBase Compound ID CYSvW44bZmV
InChI InChI=1S/C26H27NO2/c1-2-3-4-5-6-10-18-27-25(28)22-15-11-14-20-16-17-21(19-12-8-7-9-13-19)24(23(20)22)26(27)29/h7-9,11-17H,2-6,10,18H2,1H3
InChIKey BTIOUSXPRXFWSX-UHFFFAOYSA-N
Mol Weight 385.51 g/mol
Molecular Formula C26H27NO2
Exact Mass 385.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lQGOpuVL24
Name 2-octyl-4-phenyl-benzo[de]isoquinoline-1,3-dione
Comments Less than 3 mono-isotopic peaks
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Formula C26H27NO2
InChI InChI=1S/C26H27NO2/c1-2-3-4-5-6-10-18-27-25(28)22-15-11-14-20-16-17-21(19-12-8-7-9-13-19)24(23(20)22)26(27)29/h7-9,11-17H,2-6,10,18H2,1H3
InChIKey BTIOUSXPRXFWSX-UHFFFAOYSA-N
Molecular Weight 385.507 g/mol
SMILES C1(N(C(c2c3c(cccc13)ccc2-c1ccccc1)=O)CCCCCCCC)=O
SPLASH splash10-00dr-0090000000-977b15cd900fd96bf0a1
Source of Spectrum F4-0-1928-7
Synonyms 2-octyl-4-phenyl-benzo[de]isoquinoline-1,3-quinone
Wiley ID 1618370