For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N-(1'-Hexylheptyl)-N'-[(hydroxycarbonyl)methylene]perylene-3,4 : 9,10-tetracarboxylic acid - 3,4 : 9,10-diimide
SpectraBase Compound ID KNxu3yOVxNT
InChI InChI=1S/C39H38N2O6/c1-3-5-7-9-11-22(12-10-8-6-4-2)41-38(46)29-19-15-25-23-13-17-27-34-28(37(45)40(36(27)44)21-31(42)43)18-14-24(32(23)34)26-16-20-30(39(41)47)35(29)33(25)26/h13-22,36H,3-12H2,1-2H3,(H,42,43)/b40-21-
InChIKey PSKQCGSJMDQFRU-FFKGLWRNSA-N
Mol Weight 630.7 g/mol
Molecular Formula C39H38N2O6
Exact Mass 630.272987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1SfdjCKsl6
Name N-(1'-Hexylheptyl)-N'-[(hydroxycarbonyl)methylene]perylene-3,4 : 9,10-tetracarboxylic acid - 3,4 : 9,10-diimide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H38N2O6
InChI InChI=1S/C39H38N2O6/c1-3-5-7-9-11-22(12-10-8-6-4-2)41-38(46)29-19-15-25-23-13-17-27-34-28(37(45)40(36(27)44)21-31(42)43)18-14-24(32(23)34)26-16-20-30(39(41)47)35(29)33(25)26/h13-22,36H,3-12H2,1-2H3,(H,42,43)/b40-21-
InChIKey PSKQCGSJMDQFRU-FFKGLWRNSA-N
Molecular Weight 630.741 g/mol
SMILES OC(\C=[N+]/1C(c2ccc3c4c2c(C1[O-])ccc4c1c2c4c(C(=O)N(C(c4cc1)=O)C(CCCCCC)CCCCCC)ccc32)=O)=O
SPLASH splash10-052b-0000901000-fd6fd2d883646921e434
Source of Spectrum U1-1998-849-4
Wiley ID 751233