| SpectraBase Compound ID | AvKioFLNXGT |
|---|---|
| InChI | InChI=1S/C15H14S3/c1-11-5-3-7-13(9-11)17-15(16)18-14-8-4-6-12(2)10-14/h3-10H,1-2H3 |
| InChIKey | XXFFCNSPKCZRSB-UHFFFAOYSA-N |
| Mol Weight | 290.46 g/mol |
| Molecular Formula | C15H14S3 |
| Exact Mass | 290.025764 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IfB0nSM32Vw |
|---|---|
| Name | Trithiocarbonic acid, di-m-tolyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.025763973 u |
| Formula | C15H14S3 |
| InChI | InChI=1S/C15H14S3/c1-11-5-3-7-13(9-11)17-15(16)18-14-8-4-6-12(2)10-14/h3-10H,1-2H3 |
| InChIKey | XXFFCNSPKCZRSB-UHFFFAOYSA-N |
| SMILES | C1=C(C=C(C=C1)C)SC(SC=1C=CC=C(C1)C)=S |
| Spectrum/Structure Validation Score (Raman) | 0.824407 |