| SpectraBase Compound ID | 37ek7IUJFeC |
|---|---|
| InChI | InChI=1S/C12H12N2OS2/c1-17-12(16)14-11(15)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,13H,6H2,1H3,(H,14,15,16) |
| InChIKey | NTCMNTPCAUPPOK-UHFFFAOYSA-N |
| Mol Weight | 264.36 g/mol |
| Molecular Formula | C12H12N2OS2 |
| Exact Mass | 264.039105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HaEwRK12lUl |
|---|---|
| Name | Methyl 2-(1H-indol-3-yl)acetylcarbamodithioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.039105361 u |
| Formula | C12H12N2OS2 |
| InChI | InChI=1S/C12H12N2OS2/c1-17-12(16)14-11(15)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,13H,6H2,1H3,(H,14,15,16) |
| InChIKey | NTCMNTPCAUPPOK-UHFFFAOYSA-N |
| SMILES | C=1C=C2C(=CNC2=CC1)CC(NC(=S)SC)=O |