| SpectraBase Compound ID | HuzAdABM9bY |
|---|---|
| InChI | InChI=1S/C10H11NO2S/c1-12-9-5-3-4-8(6-11-7-14)10(9)13-2/h3-5H,6H2,1-2H3 |
| InChIKey | HLXLDIINPAOCAT-UHFFFAOYSA-N |
| Mol Weight | 209.26 g/mol |
| Molecular Formula | C10H11NO2S |
| Exact Mass | 209.05105 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 | COZGkafzXV6 |
|---|---|
| Name | 2,3-Dimethoxybenzyl isothiocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.051049770 u |
| Formula | C10H11NO2S |
| InChI | InChI=1S/C10H11NO2S/c1-12-9-5-3-4-8(6-11-7-14)10(9)13-2/h3-5H,6H2,1-2H3 |
| InChIKey | HLXLDIINPAOCAT-UHFFFAOYSA-N |
| Molecular Weight | 209.263 g/mol |
| SMILES | C(N=C=S)C1=C(C(=CC=C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947124 |