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12-(1'-Hexylheptyl)-3,4-dihydro-3,3-dimethyl-2H-pyrimido[1,2-b]anthra[2,1,9-def : 6,5,19-d',e',f']-diisoquinoline-2,6,11,13(12H)-tetrone

View entire compound with spectra: 1 MS (GC)

12-(1'-Hexylheptyl)-3,4-dihydro-3,3-dimethyl-2H-pyrimido[1,2-b]anthra[2,1,9-def : 6,5,19-d',e',f']-diisoquinoline-2,6,11,13(12H)-tetrone
SpectraBase Compound ID IGbM1ispsNy
InChI InChI=1S/C42H43N3O4/c1-5-7-9-11-13-24(14-12-10-8-6-2)45-39(47)31-21-17-27-25-15-19-29-35-30(38(46)44-23-42(3,4)41(49)43-37(29)44)20-16-26(33(25)35)28-18-22-32(40(45)48)36(31)34(27)28/h15-22,24H,5-14,23H2,1-4H3
InChIKey JRLVSVHNSUJAIO-UHFFFAOYSA-N
Mol Weight 653.8 g/mol
Molecular Formula C42H43N3O4
Exact Mass 653.325357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nfaofUan3Z
Name 12-(1'-Hexylheptyl)-3,4-dihydro-3,3-dimethyl-2H-pyrimido[1,2-b]anthra[2,1,9-def : 6,5,19-d',e',f']-diisoquinoline-2,6,11,13(12H)-tetrone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H43N3O4
InChI InChI=1S/C42H43N3O4/c1-5-7-9-11-13-24(14-12-10-8-6-2)45-39(47)31-21-17-27-25-15-19-29-35-30(38(46)44-23-42(3,4)41(49)43-37(29)44)20-16-26(33(25)35)28-18-22-32(40(45)48)36(31)34(27)28/h15-22,24H,5-14,23H2,1-4H3
InChIKey JRLVSVHNSUJAIO-UHFFFAOYSA-N
Molecular Weight 653.823 g/mol
SMILES C1=2N(CC(C(N2)=O)(C)C)C(c2ccc3c4c5c6c(C(N(C(c6ccc5c5c3c2c1cc5)=O)C(CCCCCC)CCCCCC)=O)cc4)=O
SPLASH splash10-0gb9-2003906000-5ba86fe7688dbb818e56
Source of Spectrum U-1995-484-7
Wiley ID 766642