![1-Pyrrolidinecarbodithioic acid, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester](/api/spectrum/3v0QmRZzMLJ/structure.png?h=300&w=458 "1-Pyrrolidinecarbodithioic acid, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester")
| SpectraBase Compound ID | 3qqgOf6DC5v |
|---|---|
| InChI | InChI=1S/C15H20N2OS2/c1-11-6-5-7-12(2)14(11)16-13(18)10-20-15(19)17-8-3-4-9-17/h5-7H,3-4,8-10H2,1-2H3,(H,16,18) |
| InChIKey | ARFDFBKFNRBZEE-UHFFFAOYSA-N |
| Mol Weight | 308.46 g/mol |
| Molecular Formula | C15H20N2OS2 |
| Exact Mass | 308.101706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3v0QmRZzMLJ |
|---|---|
| Name | 1-Pyrrolidinecarbodithioic acid, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.101705619 u |
| Formula | C15H20N2OS2 |
| InChI | InChI=1S/C15H20N2OS2/c1-11-6-5-7-12(2)14(11)16-13(18)10-20-15(19)17-8-3-4-9-17/h5-7H,3-4,8-10H2,1-2H3,(H,16,18) |
| InChIKey | ARFDFBKFNRBZEE-UHFFFAOYSA-N |
| SMILES | N(C1=C(C=CC=C1C)C)C(CSC(N1CCCC1)=S)=O |