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4-[9'-(1"-Hexylheptyl)-1',3',8',10'-tetraoxo-3',8',9',10'-tetrahydro-1H-anthra[2,1,9-def : 6,5,10-d',e',f ']diisoquinoline-2'-ylmethyl]-benzaldehyde

View entire compound with spectra: 1 MS (GC)

4-[9'-(1"-Hexylheptyl)-1',3',8',10'-tetraoxo-3',8',9',10'-tetrahydro-1H-anthra[2,1,9-def : 6,5,10-d',e',f ']diisoquinoline-2'-ylmethyl]-benzaldehyde
SpectraBase Compound ID HNTnzmIHEOM
InChI InChI=1S/C45H42N2O5/c1-3-5-7-9-11-29(12-10-8-6-4-2)47-44(51)36-23-19-32-30-17-21-34-40-35(43(50)46(42(34)49)25-27-13-15-28(26-48)16-14-27)22-18-31(38(30)40)33-20-24-37(45(47)52)41(36)39(32)33/h13-24,26,29H,3-12,25H2,1-2H3
InChIKey NBUKUYYUNITHAB-UHFFFAOYSA-N
Mol Weight 690.8 g/mol
Molecular Formula C45H42N2O5
Exact Mass 690.309372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BeyXqwj2sd
Name 4-[9'-(1"-Hexylheptyl)-1',3',8',10'-tetraoxo-3',8',9',10'-tetrahydro-1H-anthra[2,1,9-def : 6,5,10-d',e',f ']diisoquinoline-2'-ylmethyl]-benzaldehyde
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Formula C45H42N2O5
InChI InChI=1S/C45H42N2O5/c1-3-5-7-9-11-29(12-10-8-6-4-2)47-44(51)36-23-19-32-30-17-21-34-40-35(43(50)46(42(34)49)25-27-13-15-28(26-48)16-14-27)22-18-31(38(30)40)33-20-24-37(45(47)52)41(36)39(32)33/h13-24,26,29H,3-12,25H2,1-2H3
InChIKey NBUKUYYUNITHAB-UHFFFAOYSA-N
Molecular Weight 690.840 g/mol
SMILES C1(N(C(c2ccc3c4c5c6c(C(N(C(c6ccc5c5c3c2c1cc5)=O)C(CCCCCC)CCCCCC)=O)cc4)=O)Cc1ccc(C=O)cc1)=O
SPLASH splash10-0a4l-1002095000-fc714e020e8a7ce2977a
Source of Spectrum QE-14-180-5
Wiley ID 1692613