| SpectraBase Compound ID | 4LtY53T11HH |
|---|---|
| InChI | InChI=1S/C10H9NOS/c1-7(12)13-10-6-8-4-2-3-5-9(8)11-10/h2-6,11H,1H3 |
| InChIKey | VIISRROJIZDPEW-UHFFFAOYSA-N |
| Mol Weight | 191.25 g/mol |
| Molecular Formula | C10H9NOS |
| Exact Mass | 191.040485 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GCM8SP8ItFI |
|---|---|
| Name | S-1H-Indol-2-yl ethanethioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.040485087 u |
| Formula | C10H9NOS |
| InChI | InChI=1S/C10H9NOS/c1-7(12)13-10-6-8-4-2-3-5-9(8)11-10/h2-6,11H,1H3 |
| InChIKey | VIISRROJIZDPEW-UHFFFAOYSA-N |
| Molecular Weight | 191.248 g/mol |
| SMILES | C=1(NC=2C=CC=CC2C1)SC(=O)C |