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1,4-Phenylenediaminebis(4,5,6,7-tetrachloroisoindolin-1-one-3-ylidene)
SpectraBase Compound ID FZTM47R9I2W
InChI InChI=1S/C22H6Cl8N4O2/c23-11-7-9(13(25)17(29)15(11)27)21(35)33-19(7)31-5-1-2-6(4-3-5)32-20-8-10(22(36)34-20)14(26)18(30)16(28)12(8)24/h1-4H,(H,31,33,35)(H,32,34,36)
InChIKey QRFIXNBFUBOBTH-UHFFFAOYSA-N
Mol Weight 641.9 g/mol
Molecular Formula C22H6Cl8N4O2
Exact Mass 637.799897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xm55d9lc5n
Name 1,4-Phenylenediaminebis(4,5,6,7-tetrachloroisoindolin-1-one-3-ylidene)
Alternate Name(s) 3,3'-(1,4-Phenylenediimino)bis(4,5,6,7-tetrachloro-1H-isoindol-1-one) 4,5,6,7-tetrachloro-3-[4-[(4,5,6,7-tetrachloro-3-keto-isoindol-1-yl)amino]anilino]isoindol-1-one 4,5,6,7-tetrachloro-3-[4-[(4,5,6,7-tetrachloro-3-oxo-1-isoindolyl)amino]anilino]-1-isoindolone 4,5,6,7-tetrachloro-3-[4-[(4,5,6,7-tetrachloro-3-oxo-isoindol-1-yl)amino]anilino]isoindol-1-one 4,5,6,7-tetrakis(chloranyl)-3-[[4-[[4,5,6,7-tetrakis(chloranyl)-3-oxidanylidene-isoindol-1-yl]amino]phenyl]amino]isoindol-1-one C.I. Pigment Yellow 110 EINECS 226-999-5
CAS Registry Number 5590-18-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H6Cl8N4O2
InChI InChI=1S/C22H6Cl8N4O2/c23-11-7-9(13(25)17(29)15(11)27)21(35)33-19(7)31-5-1-2-6(4-3-5)32-20-8-10(22(36)34-20)14(26)18(30)16(28)12(8)24/h1-4H,(H,31,33,35)(H,32,34,36)
InChIKey QRFIXNBFUBOBTH-UHFFFAOYSA-N
Molecular Weight 641.940 g/mol
SMILES N1C(c2c(\C1=N/c1ccc(\N=C/3c4c(C(N3)=O)c(c(c(c4Cl)Cl)Cl)Cl)cc1)c(c(c(c2Cl)Cl)Cl)Cl)=O
SPLASH splash10-0006-0054009000-e9dc98d33561fec13f5f
Source of Spectrum KU-24-4-5
Wiley ID 1412465