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3,4-bis(Tert-butylsulfanyl)-1-phenylpyrrole-2,5-dione

View entire compound with spectra: 1 FTIR

3,4-bis(Tert-butylsulfanyl)-1-phenylpyrrole-2,5-dione
SpectraBase Compound ID KDMOoSL0gBZ
InChI InChI=1S/C18H23NO2S2/c1-17(2,3)22-13-14(23-18(4,5)6)16(21)19(15(13)20)12-10-8-7-9-11-12/h7-11H,1-6H3
InChIKey LSZOEBPRMMEZCJ-UHFFFAOYSA-N
Mol Weight 349.51 g/mol
Molecular Formula C18H23NO2S2
Exact Mass 349.117021 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CckiDBS2sZG
Name 3,4-bis(Tert-butylsulfanyl)-1-phenylpyrrole-2,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.117021331 u
Formula C18H23NO2S2
InChI InChI=1S/C18H23NO2S2/c1-17(2,3)22-13-14(23-18(4,5)6)16(21)19(15(13)20)12-10-8-7-9-11-12/h7-11H,1-6H3
InChIKey LSZOEBPRMMEZCJ-UHFFFAOYSA-N
Molecular Weight 349.507 g/mol
SMILES C1=CC=C(C=C1)N1C(C(=C(C1=O)SC(C)(C)C)SC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919988