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3-(Benzo[d][1,3]dioxol-5-yl)-2-(4-methylphenyl)thiazolidin-4-one
SpectraBase Compound ID EWTJMXZdHS3
InChI InChI=1S/C17H15NO3S/c1-11-2-4-12(5-3-11)17-18(16(19)9-22-17)13-6-7-14-15(8-13)21-10-20-14/h2-8,17H,9-10H2,1H3
InChIKey CYGNBTKKULYDQC-UHFFFAOYSA-N
Mol Weight 313.37 g/mol
Molecular Formula C17H15NO3S
Exact Mass 313.077265 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 55UTQzz33O8
Name 3-(Benzo[D][1,3]dioxol-5-yl)-2-(4-methylphenyl)thiazolidin-4-one
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 313.077264518 u
Formula C17H15NO3S
InChI InChI=1S/C17H15NO3S/c1-11-2-4-12(5-3-11)17-18(16(19)9-22-17)13-6-7-14-15(8-13)21-10-20-14/h2-8,17H,9-10H2,1H3
InChIKey CYGNBTKKULYDQC-UHFFFAOYSA-N
Molecular Weight 313.371 g/mol
SMILES C1SC(C=2C=CC(=CC2)C)N(C=2C=C3OCOC3=CC2)C1=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.820598