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Benz[cd]indole, butanedioic acid deriv.
SpectraBase Compound ID 66KrNIIizYU
InChI InChI=1S/C28H20N2O6/c31-23(35-15-29-21-11-3-7-17-5-1-9-19(25(17)21)27(29)33)13-14-24(32)36-16-30-22-12-4-8-18-6-2-10-20(26(18)22)28(30)34/h1-12H,13-16H2
InChIKey KUFBUIDTIQDOJU-UHFFFAOYSA-N
Mol Weight 480.48 g/mol
Molecular Formula C28H20N2O6
Exact Mass 480.132136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7luD5Q2Yr8
Name Benz[cd]indole, butanedioic acid deriv.
Alternate Name(s) Butanedioic acid, bis[(2-oxobenz[cd]indol-1(2H)-yl)methyl]ester Benz[c,d]indol-1-ylmethyl succinate bis[(2-oxobenzo[cd]indol-1(2H)-yl)methyl]succinate Butanedioic acid bis[(2-oxo-1-benzo[cd]indolyl)methyl] ester bis[(2-oxobenzo[cd]indol-1-yl)methyl] butanedioate bis[(2-oxidanylidenebenzo[cd]indol-1-yl)methyl] butanedioate
CAS Registry Number 114044-39-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20N2O6
InChI InChI=1S/C28H20N2O6/c31-23(35-15-29-21-11-3-7-17-5-1-9-19(25(17)21)27(29)33)13-14-24(32)36-16-30-22-12-4-8-18-6-2-10-20(26(18)22)28(30)34/h1-12H,13-16H2
InChIKey KUFBUIDTIQDOJU-UHFFFAOYSA-N
Molecular Weight 480.476 g/mol
SMILES C1(N(c2c3c(cccc13)ccc2)COC(=O)CCC(OCN1C(c2cccc3c2c1ccc3)=O)=O)=O
SPLASH splash10-0059-2920000000-94f4298c360a0e020b58
Source of Spectrum Y-24-1385-21
Wiley ID 1395242