| SpectraBase Compound ID | JeU21tQSszV |
|---|---|
| InChI | InChI=1S/C10H13NO3S/c1-12-7-4-6(10(11)15)5-8(13-2)9(7)14-3/h4-5H,1-3H3,(H2,11,15) |
| InChIKey | FCQGHVXXICVSIF-UHFFFAOYSA-N |
| Mol Weight | 227.28 g/mol |
| Molecular Formula | C10H13NO3S |
| Exact Mass | 227.061614 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | E7mybOJIw0x |
|---|---|
| Name | Thio-3,4,5-trimethoxybenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.061614454 u |
| Formula | C10H13NO3S |
| InChI | InChI=1S/C10H13NO3S/c1-12-7-4-6(10(11)15)5-8(13-2)9(7)14-3/h4-5H,1-3H3,(H2,11,15) |
| InChIKey | FCQGHVXXICVSIF-UHFFFAOYSA-N |
| SMILES | NC(C1=CC(=C(C(=C1)OC)OC)OC)=S |
| Spectrum/Structure Validation Score (Raman) | 0.98323 |