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3-bromanyl-4-[2-[4-[3-[4-bromanyl-1-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]-1H-indol-2-yl]butyl]-1H-indol-3-yl]-1-methyl-pyrrole-2,5-dione
SpectraBase Compound ID AJR7tK9bR6p
InChI InChI=1S/C30H24Br2N4O4/c1-35-27(37)23(25(31)29(35)39)21-15-9-3-5-11-17(15)33-19(21)13-7-8-14-20-22(16-10-4-6-12-18(16)34-20)24-26(32)30(40)36(2)28(24)38/h3-6,9-12,33-34H,7-8,13-14H2,1-2H3
InChIKey KOICYAQKRLINEI-UHFFFAOYSA-N
Mol Weight 664.35 g/mol
Molecular Formula C30H24Br2N4O4
Exact Mass 662.016431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Et1JmrRV5GX
Name 3-bromanyl-4-[2-[4-[3-[4-bromanyl-1-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]-1H-indol-2-yl]butyl]-1H-indol-3-yl]-1-methyl-pyrrole-2,5-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H24Br2N4O4
InChI InChI=1S/C30H24Br2N4O4/c1-35-27(37)23(25(31)29(35)39)21-15-9-3-5-11-17(15)33-19(21)13-7-8-14-20-22(16-10-4-6-12-18(16)34-20)24-26(32)30(40)36(2)28(24)38/h3-6,9-12,33-34H,7-8,13-14H2,1-2H3
InChIKey KOICYAQKRLINEI-UHFFFAOYSA-N
Molecular Weight 664.354 g/mol
SMILES [nH]1c2c(c(c1CCCCc1c(C=3C(N(C)C(C3Br)=O)=O)c3ccccc3[nH]1)C=1C(N(C)C(C1Br)=O)=O)cccc2
SPLASH splash10-0a4i-0900010000-fe5b0f1a95c895020d57
Source of Spectrum J-64-8137-29
Synonyms 3-bromo-4-[2-[4-[3-(4-bromo-1-methyl-2,5-dioxo-3-pyrrolyl)-1H-indol-2-yl]butyl]-1H-indol-3-yl]-1-methylpyrrole-2,5-dione 3-bromo-4-[2-[4-[3-(4-bromo-1-methyl-2,5-dioxo-pyrrol-3-yl)-1H-indol-2-yl]butyl]-1H-indol-3-yl]-1-methyl-pyrrole-2,5-dione 3-bromo-4-[2-[4-[3-(4-bromo-2,5-diketo-1-methyl-3-pyrrolin-3-yl)-1H-indol-2-yl]butyl]-1H-indol-3-yl]-1-methyl-3-pyrroline-2,5-quinone
Wiley ID 1531365