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[(2',4'-Dinitrophenyl)diazo]-tetrasubstituted Macocycloc Tetraazomethyne Dyestuff
SpectraBase Compound ID 8INPZsqyM2l
InChI InChI=1S/C52H28N20O20/c73-49-29-9-25(13-41(49)61-57-37-5-1-33(65(77)78)17-45(37)69(85)86)26-10-30(50(74)42(14-26)62-58-38-6-2-34(66(79)80)18-46(38)70(87)88)22-55-56-24-32-12-28(16-44(52(32)76)64-60-40-8-4-36(68(83)84)20-48(40)72(91)92)27-11-31(23-54-53-21-29)51(75)43(15-27)63-59-39-7-3-35(67(81)82)19-47(39)71(89)90/h1-24,73-76H/b53-21+,54-23+,55-22+,56-24+,61-57+,62-58+,63-59+,64-60+
InChIKey RKEGPJURGJEYDD-KKNUYDJLSA-N
Mol Weight 1252.9 g/mol
Molecular Formula C52H28N20O20
Exact Mass 1252.178873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID t9iWzmOsVw
Name [(2',4'-Dinitrophenyl)diazo]-tetrasubstituted Macocycloc Tetraazomethyne Dyestuff
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H28N20O20
InChI InChI=1S/C52H28N20O20/c73-49-29-9-25(13-41(49)61-57-37-5-1-33(65(77)78)17-45(37)69(85)86)26-10-30(50(74)42(14-26)62-58-38-6-2-34(66(79)80)18-46(38)70(87)88)22-55-56-24-32-12-28(16-44(52(32)76)64-60-40-8-4-36(68(83)84)20-48(40)72(91)92)27-11-31(23-54-53-21-29)51(75)43(15-27)63-59-39-7-3-35(67(81)82)19-47(39)71(89)90/h1-24,73-76H/b53-21+,54-23+,55-22+,56-24+,61-57+,62-58+,63-59+,64-60+
InChIKey RKEGPJURGJEYDD-KKNUYDJLSA-N
Molecular Weight 1252.916 g/mol
SMILES Oc1c(cc-2cc1\C=N\N=C\c1c(c(cc(-c3cc(c(c(\C=N\N=C\c4c(c(cc2c4)\N=N\c2c(N(=O)=O)cc(N(=O)=O)cc2)O)c3)O)\N=N\c2c(N(=O)=O)cc(N(=O)=O)cc2)c1)\N=N\c1c(N(=O)=O)cc(N(=O)=O)cc1)O)\N=N\c1c(N(=O)=O)cc(N(=O)=O)cc1
SPLASH splash10-0udj-9070220010-eee62f596f2c48854cb2
Source of Spectrum G-74-416-4b
Wiley ID 1713841