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N-[1'-Hexylheptyl]-9-bromoperylene-3,4-dicarboxamide
SpectraBase Compound ID 7pHcEbVEgQV
InChI InChI=1S/C35H36BrNO2/c1-3-5-7-9-12-22(13-10-8-6-4-2)37-34(38)28-18-16-25-23-14-11-15-27-30(36)21-20-24(31(23)27)26-17-19-29(35(37)39)33(28)32(25)26/h11,14-22H,3-10,12-13H2,1-2H3
InChIKey ZUUHDTZFVUQDEN-UHFFFAOYSA-N
Mol Weight 582.6 g/mol
Molecular Formula C35H36BrNO2
Exact Mass 581.192942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DLm5yojY0
Name N-[1'-Hexylheptyl]-9-bromoperylene-3,4-dicarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H36BrNO2
InChI InChI=1S/C35H36BrNO2/c1-3-5-7-9-12-22(13-10-8-6-4-2)37-34(38)28-18-16-25-23-14-11-15-27-30(36)21-20-24(31(23)27)26-17-19-29(35(37)39)33(28)32(25)26/h11,14-22H,3-10,12-13H2,1-2H3
InChIKey ZUUHDTZFVUQDEN-UHFFFAOYSA-N
Molecular Weight 582.582 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1cccc3c1c(c4cc2)ccc3Br)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-0udj-0005930000-ee17633d5e4cab609a20
Source of Spectrum U-1995-1243-15
Synonyms 8-Bromo-2-(1-hexylheptyl)-1H-benzo[10,5]anthra[2,1,9-def]isoquinoline-1,3(2H)-dione
Wiley ID 767260