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Dithio-3-methyl-2-(3-phenyl-2-thioureido)-1-cyclopenten-1-carboxylic acid
SpectraBase Compound ID Ls0JVQv1zBO
InChI InChI=1S/C14H16N2S3/c1-9-7-8-11(13(17)18)12(9)16-14(19)15-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKey OCWRRGCCQOFYJR-UHFFFAOYSA-N
Mol Weight 308.48 g/mol
Molecular Formula C14H16N2S3
Exact Mass 308.047562 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9e6mzagUHIN
Name Dithio-3-methyl-2-(3-phenyl-2-thioureido)-1-cyclopenten-1-carboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.047562045 u
Formula C14H16N2S3
InChI InChI=1S/C14H16N2S3/c1-9-7-8-11(13(17)18)12(9)16-14(19)15-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKey OCWRRGCCQOFYJR-UHFFFAOYSA-N
Molecular Weight 308.476 g/mol
SMILES N(C1=CC=CC=C1)C(NC=1C(CCC1C(S)=S)C)=S
Spectrum/Structure Validation Score (Raman) 0.961588