| SpectraBase Compound ID | EfHzJAMDwB6 |
|---|---|
| InChI | InChI=1S/C9H7NO2S/c13-6-10-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4H2 |
| InChIKey | KALNNFRLHRAJNK-UHFFFAOYSA-N |
| Mol Weight | 193.22 g/mol |
| Molecular Formula | C9H7NO2S |
| Exact Mass | 193.01975 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IPv43QD7tlf |
|---|---|
| Name | 6-Isothiocyanato-2,3-dihydro-1,4-benzodioxin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.019749641 u |
| Formula | C9H7NO2S |
| InChI | InChI=1S/C9H7NO2S/c13-6-10-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4H2 |
| InChIKey | KALNNFRLHRAJNK-UHFFFAOYSA-N |
| Molecular Weight | 193.220 g/mol |
| SMILES | C=1(N=C=S)C=C2OCCOC2=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964962 |