| SpectraBase Compound ID | 9kqIrou6VUk |
|---|---|
| InChI | InChI=1S/C16H22N2OS2/c1-3-17(4-2)16(20)21-12-15(19)18-10-9-13-7-5-6-8-14(13)11-18/h5-8H,3-4,9-12H2,1-2H3 |
| InChIKey | TVJBBZVNSRFHBE-UHFFFAOYSA-N |
| Mol Weight | 322.49 g/mol |
| Molecular Formula | C16H22N2OS2 |
| Exact Mass | 322.117356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DlMNzjMly1V |
|---|---|
| Name | 2-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-oxoethyl diethyldithiocarbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.117355683 u |
| Formula | C16H22N2OS2 |
| InChI | InChI=1S/C16H22N2OS2/c1-3-17(4-2)16(20)21-12-15(19)18-10-9-13-7-5-6-8-14(13)11-18/h5-8H,3-4,9-12H2,1-2H3 |
| InChIKey | TVJBBZVNSRFHBE-UHFFFAOYSA-N |
| Molecular Weight | 322.485 g/mol |
| SMILES | C1=CC=2CCN(C(CSC(=S)N(CC)CC)=O)CC2C=C1 |