1'',4''-bis{Spiro[1,1-dimethylndoline-3,2'-thiazolidine]-2,4'-(1H)-dione}-phenylene

SpectraBase Compound ID	4WZsVSkekGN
InChI	InChI=1S/C28H22N4O4S2/c1-29-21-9-5-3-7-19(21)27(25(29)35)31(23(33)15-37-27)17-11-13-18(14-12-17)32-24(34)16-38-28(32)20-8-4-6-10-22(20)30(2)26(28)36/h3-14H,15-16H2,1-2H3
InChIKey	JXRRDGCNDAMXQR-UHFFFAOYSA-N Google Search
Mol Weight	542.63 g/mol
Molecular Formula	C28H22N4O4S2
Exact Mass	542.108248 g/mol

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SpectraBase Spectrum ID	8LPvas03SM6
Name	1'',4''-bis{Spiro[1,1-dimethylndoline-3,2'-thiazolidine]-2,4'-(1H)-dione}-phenylene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	542.108247548 u
Formula	C28H22N4O4S2
InChI	InChI=1S/C28H22N4O4S2/c1-29-21-9-5-3-7-19(21)27(25(29)35)31(23(33)15-37-27)17-11-13-18(14-12-17)32-24(34)16-38-28(32)20-8-4-6-10-22(20)30(2)26(28)36/h3-14H,15-16H2,1-2H3
InChIKey	JXRRDGCNDAMXQR-UHFFFAOYSA-N
Molecular Weight	542.628 g/mol
SMILES	C12(C(N(C)C3=C2C=CC=C3)=O)N(C(=O)CS1)C=1C=CC(N2C3(C(N(C)C=4C3=CC=CC4)=O)SCC2=O)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.930452