| SpectraBase Compound ID | CAvGylhFbTf |
|---|---|
| InChI | InChI=1S/C13H19NO2S/c1-14(2)13(15)17-11-7-6-10-16-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3 |
| InChIKey | HMIBKHHNXANVHR-UHFFFAOYSA-N |
| Mol Weight | 253.36 g/mol |
| Molecular Formula | C13H19NO2S |
| Exact Mass | 253.11365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5yOSzsgXixN |
|---|---|
| Name | Fenothiocarb |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.113650028 u |
| Formula | C13H19NO2S |
| InChI | InChI=1S/C13H19NO2S/c1-14(2)13(15)17-11-7-6-10-16-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3 |
| InChIKey | HMIBKHHNXANVHR-UHFFFAOYSA-N |
| Molecular Weight | 253.360 g/mol |
| SMILES | C(OC1=CC=CC=C1)CCCSC(N(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972177 |