For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,2'-((2,2'-(5,5'-((Sulfonylbis(4,1-phenylene))bis(diazene-2,1-diyl))bis(4-methylthiazole-5,2-diyl))bis(hydrazin-2-yl-1-ylidene))bis(ethan-1-yl-1-ylidene))bis(3H-benzo[f]chromen-3-one)
SpectraBase Compound ID JoGDmRi6T20
InChI InChI=1S/C50H36N10O6S3/c1-27(39-25-41-37-11-7-5-9-31(37)13-23-43(41)65-47(39)61)53-59-49-51-29(3)45(67-49)57-55-33-15-19-35(20-16-33)69(63,64)36-21-17-34(18-22-36)56-58-46-30(4)52-50(68-46)60-54-28(2)40-26-42-38-12-8-6-10-32(38)14-24-44(42)66-48(40)62/h5-26H,1-4H3,(H,51,59)(H,52,60)
InChIKey ARAPVECJBADDSS-UHFFFAOYSA-N
Mol Weight 969.1 g/mol
Molecular Formula C50H36N10O6S3
Exact Mass 968.198142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Lxgkg5RpO2H
Name 2,2'-((2,2'-(5,5'-((Sulfonylbis(4,1-phenylene))bis(diazene-2,1-diyl))bis(4-methylthiazole-5,2-diyl))bis(hydrazin-2-yl-1-ylidene))bis(ethan-1-yl-1-ylidene))bis(3H-benzo[f]chromen-3-one)
Appearance Red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H36N10O6S3
InChI InChI=1S/C50H36N10O6S3/c1-27(39-25-41-37-11-7-5-9-31(37)13-23-43(41)65-47(39)61)53-59-49-51-29(3)45(67-49)57-55-33-15-19-35(20-16-33)69(63,64)36-21-17-34(18-22-36)56-58-46-30(4)52-50(68-46)60-54-28(2)40-26-42-38-12-8-6-10-32(38)14-24-44(42)66-48(40)62/h5-26H,1-4H3,(H,51,59)(H,52,60)
InChIKey ARAPVECJBADDSS-UHFFFAOYSA-N
Instrument Name Shimadzu GCeMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2741
Molecular Weight 969.082 g/mol
SMILES N(N=C(C=1C(Oc2c(c3c(cc2)cccc3)C1)=O)C)c1sc(N=Nc2ccc(S(c3ccc(N=Nc4sc(nc4C)NN=C(C)C4=Cc5c(ccc6c5cccc6)OC4=O)cc3)(=O)=O)cc2)c(n1)C
SPLASH splash10-001i-9020202100-d081bee933da90beb474
Source of Spectrum Y-54-1541-18
Wiley ID 1878273