| SpectraBase Compound ID | 82eXQvruHsL |
|---|---|
| InChI | InChI=1S/C10H16N2S2/c13-9-11-7-5-3-1-2-4-6-8-12-10-14/h1-8H2 |
| InChIKey | LVGANCPXXODGKA-UHFFFAOYSA-N |
| Mol Weight | 228.37 g/mol |
| Molecular Formula | C10H16N2S2 |
| Exact Mass | 228.075491 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 | FzVTFceExS9 |
|---|---|
| Name | 1,8-Octane diisothiocyanate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.075490871 u |
| Formula | C10H16N2S2 |
| InChI | InChI=1S/C10H16N2S2/c13-9-11-7-5-3-1-2-4-6-8-12-10-14/h1-8H2 |
| InChIKey | LVGANCPXXODGKA-UHFFFAOYSA-N |
| Molecular Weight | 228.372 g/mol |
| SMILES | C(N=C=S)CCCCCCCN=C=S |