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N-(1-Hexylheptyl)perylene-3,4,9,10-tetracarboxylic acid - 3,4-anhydride - 9,10-imide
SpectraBase Compound ID 4dsVALHRXos
InChI InChI=1S/C37H35NO5/c1-3-5-7-9-11-21(12-10-8-6-4-2)38-34(39)26-17-13-22-24-15-19-28-33-29(37(42)43-36(28)41)20-16-25(31(24)33)23-14-18-27(35(38)40)32(26)30(22)23/h13-21H,3-12H2,1-2H3
InChIKey ITEJFMNXCLJSLV-UHFFFAOYSA-N
Mol Weight 573.7 g/mol
Molecular Formula C37H35NO5
Exact Mass 573.251523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZhB90cNGXt
Name N-(1-Hexylheptyl)perylene-3,4,9,10-tetracarboxylic acid - 3,4-anhydride - 9,10-imide
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Formula C37H35NO5
InChI InChI=1S/C37H35NO5/c1-3-5-7-9-11-21(12-10-8-6-4-2)38-34(39)26-17-13-22-24-15-19-28-33-29(37(42)43-36(28)41)20-16-25(31(24)33)23-14-18-27(35(38)40)32(26)30(22)23/h13-21H,3-12H2,1-2H3
InChIKey ITEJFMNXCLJSLV-UHFFFAOYSA-N
Molecular Weight 573.689 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc3c5c1c(c4cc2)ccc5C(OC3=O)=O)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-0006-1009010000-f59852fbef6b0ecb8e89
Source of Spectrum U-1995-483-5
Synonyms 9-(1-hexylheptyl)-1H-[2]benzopyrano[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(9H)-tetrone
Wiley ID 766645