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2,2'-(((((2-Hydroxypropane-1,3-diyl)bis(oxy))bis (2,1-phenylene))bis(methanylylidene))bis(hydrazin-1-yl-2-ylidene))bis(5-(2-(4-nitrophenyl)hydrazono)thiazol-4(5H)- one)
SpectraBase Compound ID 5WvZlTNyFu1
InChI InChI=1S/C35H28N12O9S2/c48-27(19-55-28-7-3-1-5-21(28)17-36-44-34-38-30(49)32(57-34)42-40-23-9-13-25(14-10-23)46(51)52)20-56-29-8-4-2-6-22(29)18-37-45-35-39-31(50)33(58-35)43-41-24-11-15-26(16-12-24)47(53)54/h1-18,27,32-33,48H,19-20H2,(H,38,44,49)(H,39,45,50)/b36-17-,37-18-,42-40+,43-41+
InChIKey LXIGEQQWKJOLEU-YTXIAGLBSA-N
Mol Weight 824.8 g/mol
Molecular Formula C35H28N12O9S2
Exact Mass 824.154363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Gqet6L7Cu5
Name 2,2'-(((((2-Hydroxypropane-1,3-diyl)bis(oxy))bis (2,1-phenylene))bis(methanylylidene))bis(hydrazin-1-yl-2-ylidene))bis(5-(2-(4-nitrophenyl)hydrazono)thiazol-4(5H)- one)
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H28N12O9S2
InChI InChI=1S/C35H28N12O9S2/c48-27(19-55-28-7-3-1-5-21(28)17-36-44-34-38-30(49)32(57-34)42-40-23-9-13-25(14-10-23)46(51)52)20-56-29-8-4-2-6-22(29)18-37-45-35-39-31(50)33(58-35)43-41-24-11-15-26(16-12-24)47(53)54/h1-18,27,32-33,48H,19-20H2,(H,38,44,49)(H,39,45,50)/b36-17-,37-18-,42-40+,43-41+
InChIKey LXIGEQQWKJOLEU-YTXIAGLBSA-N
Instrument Name GCMS-Q1000-EX Shimadzu & GCMS 5988-A HP
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2021.103396
Molecular Weight 824.804 g/mol
SMILES N(\N=C/c1ccccc1OCC(COc1c(cccc1)\C=N/NC=1SC(C(N1)=O)\N=N\c1ccc(cc1)[N+]([O-])=O)O)C1=NC(C(S1)\N=N\c1ccc(cc1)[N+]([O-])=O)=O
SPLASH splash10-056r-9123231220-0fe673778ff60bd41829
Source of Spectrum AJC-14-11-9d
Wiley ID 1875243