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3,3-bis(Benzylthio)-2,4-pentanedione

View entire compound with spectra: 1 FTIR, and 1 Raman

3,3-bis(Benzylthio)-2,4-pentanedione
SpectraBase Compound ID 8TovjBAQp06
InChI InChI=1S/C19H20O2S2/c1-15(20)19(16(2)21,22-13-17-9-5-3-6-10-17)23-14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3
InChIKey QKJCBJTUQKIWRO-UHFFFAOYSA-N
Mol Weight 344.49 g/mol
Molecular Formula C19H20O2S2
Exact Mass 344.090472 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Ce8HpIwmf6x
Name 3,3-bis(Benzylthio)-2,4-pentanedione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.090472230 u
Formula C19H20O2S2
InChI InChI=1S/C19H20O2S2/c1-15(20)19(16(2)21,22-13-17-9-5-3-6-10-17)23-14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3
InChIKey QKJCBJTUQKIWRO-UHFFFAOYSA-N
Molecular Weight 344.487 g/mol
SMILES C=1C=CC=CC1CSC(C(=O)C)(SCC1=CC=CC=C1)C(=O)C
Spectrum/Structure Validation Score (Raman) 0.961656