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1,8-bis(1'-Hexylheptyl)-1H-indolo[5',4',3' : 10,5,6]anthra[2,1,9-def]isoquinoline-2,7,9 (8H)-trione
SpectraBase Compound ID vt63x2Teb7
InChI InChI=1S/C49H62N2O3/c1-5-9-13-17-21-33(22-18-14-10-6-2)50-42-32-31-38-36-26-29-40-45-39(28-25-35(43(36)45)37-27-30-41(47(50)52)46(42)44(37)38)48(53)51(49(40)54)34(23-19-15-11-7-3)24-20-16-12-8-4/h25-34H,5-24H2,1-4H3
InChIKey UFKCUEWFVYLGJN-UHFFFAOYSA-N
Mol Weight 727.0 g/mol
Molecular Formula C49H62N2O3
Exact Mass 726.476044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B28D6DJVJ0S
Name 1,8-bis(1'-Hexylheptyl)-1H-indolo[5',4',3' : 10,5,6]anthra[2,1,9-def]isoquinoline-2,7,9 (8H)-trione
Alternate Name(s) 1,8-Bis(1-Hexylheptyl)-1H-indolo[5',4',3':10,5,6]anthra[2,1,9-def]isoquinoline-2,7,9-trione 1,8-bis(1-hexylheptyl)-1H-indolo[5',4',3':10,5,6]anthra[2,1,9-def]isoquinoline-2,7,9(8H)-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C49H62N2O3
InChI InChI=1S/C49H62N2O3/c1-5-9-13-17-21-33(22-18-14-10-6-2)50-42-32-31-38-36-26-29-40-45-39(28-25-35(43(36)45)37-27-30-41(47(50)52)46(42)44(37)38)48(53)51(49(40)54)34(23-19-15-11-7-3)24-20-16-12-8-4/h25-34H,5-24H2,1-4H3
InChIKey UFKCUEWFVYLGJN-UHFFFAOYSA-N
Molecular Weight 727.046 g/mol
SMILES C1(N(C(c2ccc3c4ccc5N(C(c6ccc(c7ccc1c2c37)c4c56)=O)C(CCCCCC)CCCCCC)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-004i-0002010900-6bdf6bdc6050a801931d
Source of Spectrum QE-12-4644-3
Wiley ID 1587086