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1,3-Bis(2-((2-(4-methyl-5-((4-nitrophenyl)diazenyl) thiazol-2-yl)hydrazono)methyl)phenoxy) propan-2-ol
SpectraBase Compound ID eDZ7vfesQb
InChI InChI=1S/C37H32N12O7S2/c1-23-34(44-42-27-11-15-29(16-12-27)48(51)52)57-36(40-23)46-38-19-25-7-3-5-9-32(25)55-21-31(50)22-56-33-10-6-4-8-26(33)20-39-47-37-41-24(2)35(58-37)45-43-28-13-17-30(18-14-28)49(53)54/h3-20,31,50H,21-22H2,1-2H3,(H,40,46)(H,41,47)/b38-19-,39-20-,44-42+,45-43+
InChIKey HLBKPBXZZFJWLY-PBUWQXQRSA-N
Mol Weight 820.9 g/mol
Molecular Formula C37H32N12O7S2
Exact Mass 820.195834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0CehKHKutA
Name 1,3-Bis(2-((2-(4-methyl-5-((4-nitrophenyl)diazenyl) thiazol-2-yl)hydrazono)methyl)phenoxy) propan-2-ol
Appearance Red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H32N12O7S2
InChI InChI=1S/C37H32N12O7S2/c1-23-34(44-42-27-11-15-29(16-12-27)48(51)52)57-36(40-23)46-38-19-25-7-3-5-9-32(25)55-21-31(50)22-56-33-10-6-4-8-26(33)20-39-47-37-41-24(2)35(58-37)45-43-28-13-17-30(18-14-28)49(53)54/h3-20,31,50H,21-22H2,1-2H3,(H,40,46)(H,41,47)/b38-19-,39-20-,44-42+,45-43+
InChIKey HLBKPBXZZFJWLY-PBUWQXQRSA-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 820.860 g/mol
SMILES N(\N=C/c1ccccc1OCC(COc1c(cccc1)\C=N/Nc1sc(c(n1)C)\N=N\c1ccc(cc1)[N+]([O-])=O)O)c1nc(c(s1)\N=N\c1ccc(cc1)[N+]([O-])=O)C
SPLASH splash10-00ke-9100000000-59c47c368bfff6ac87aa
Source of Spectrum AJC-14-10-6d
Wiley ID 1875236