| SpectraBase Compound ID | 8MeSXyVGPCJ |
|---|---|
| InChI | InChI=1S/C15H14S3/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3 |
| InChIKey | ZQEQLPRJWBNGFN-UHFFFAOYSA-N |
| Mol Weight | 290.46 g/mol |
| Molecular Formula | C15H14S3 |
| Exact Mass | 290.025764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JfLQCds6bwx |
|---|---|
| Name | Trithiocarboxylic acid, di(4-methylphenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.025763973 u |
| Formula | C15H14S3 |
| InChI | InChI=1S/C15H14S3/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3 |
| InChIKey | ZQEQLPRJWBNGFN-UHFFFAOYSA-N |
| SMILES | C(=S)(SC1=CC=C(C)C=C1)SC=1C=CC(C)=CC1 |