| SpectraBase Compound ID | 41AVXLu9KI |
|---|---|
| InChI | InChI=1S/C13H15NOS3/c15-12(11-4-2-1-3-5-11)10-18-13(16)14-6-8-17-9-7-14/h1-5H,6-10H2 |
| InChIKey | UCYDMBBHUZZDJV-UHFFFAOYSA-N |
| Mol Weight | 297.45 g/mol |
| Molecular Formula | C13H15NOS3 |
| Exact Mass | 297.031578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KnjqiZf012k |
|---|---|
| Name | 4-Thiomorpholinecarbodithioic acid, 2-oxo-2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.031577628 u |
| Formula | C13H15NOS3 |
| InChI | InChI=1S/C13H15NOS3/c15-12(11-4-2-1-3-5-11)10-18-13(16)14-6-8-17-9-7-14/h1-5H,6-10H2 |
| InChIKey | UCYDMBBHUZZDJV-UHFFFAOYSA-N |
| Molecular Weight | 297.449 g/mol |
| SMILES | C(N1CCSCC1)(SCC(=O)C=1C=CC=CC1)=S |