| SpectraBase Compound ID | lFRqMjjmYi |
|---|---|
| InChI | InChI=1S/C9H13NO2S/c1-11-7-4-6(10)9(13-3)5-8(7)12-2/h4-5H,10H2,1-3H3 |
| InChIKey | WFGWVQXJHWFWHF-UHFFFAOYSA-N |
| Mol Weight | 199.27 g/mol |
| Molecular Formula | C9H13NO2S |
| Exact Mass | 199.0667 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G6K27kFSDiK |
|---|---|
| Name | 4-Thiomethyl-5-amino veratrole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.066699835 u |
| Formula | C9H13NO2S |
| InChI | InChI=1S/C9H13NO2S/c1-11-7-4-6(10)9(13-3)5-8(7)12-2/h4-5H,10H2,1-3H3 |
| InChIKey | WFGWVQXJHWFWHF-UHFFFAOYSA-N |
| Molecular Weight | 199.268 g/mol |
| SMILES | C1(N)=CC(OC)=C(OC)C=C1SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950942 |