![o-Methyl S-[2-(methylamino)-2-oxoethyl] carbonothioate](/api/spectrum/Dbrth3Wr9xm/structure.png?h=300&w=458 "o-Methyl S-[2-(methylamino)-2-oxoethyl] carbonothioate")
| SpectraBase Compound ID | JacdRRfeb0x |
|---|---|
| InChI | InChI=1S/C5H9NO3S/c1-6-4(7)3-10-5(8)9-2/h3H2,1-2H3,(H,6,7) |
| InChIKey | YHIXCCMZLMEPLF-UHFFFAOYSA-N |
| Mol Weight | 163.19 g/mol |
| Molecular Formula | C5H9NO3S |
| Exact Mass | 163.030314 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Dbrth3Wr9xm |
|---|---|
| Name | o-Methyl S-[2-(methylamino)-2-oxoethyl] carbonothioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.030314325 u |
| Formula | C5H9NO3S |
| InChI | InChI=1S/C5H9NO3S/c1-6-4(7)3-10-5(8)9-2/h3H2,1-2H3,(H,6,7) |
| InChIKey | YHIXCCMZLMEPLF-UHFFFAOYSA-N |
| SMILES | C(SC(OC)=O)C(NC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894919 |