![Ethyl 3-[(2-methyl-2-mercaptopropyl)amino]propionate](/api/spectrum/INkRecXMU1T/structure.png?h=300&w=458 "Ethyl 3-[(2-methyl-2-mercaptopropyl)amino]propionate")
| SpectraBase Compound ID | CmyxfYKj2Lb |
|---|---|
| InChI | InChI=1S/C9H19NO2S/c1-4-12-8(11)5-6-10-7-9(2,3)13/h10,13H,4-7H2,1-3H3 |
| InChIKey | PDLLYFVCYZMVBH-UHFFFAOYSA-N |
| Mol Weight | 205.32 g/mol |
| Molecular Formula | C9H19NO2S |
| Exact Mass | 205.11365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | INkRecXMU1T |
|---|---|
| Name | Ethyl 3-[(2-methyl-2-mercaptopropyl)amino]propionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.113650028 u |
| Formula | C9H19NO2S |
| InChI | InChI=1S/C9H19NO2S/c1-4-12-8(11)5-6-10-7-9(2,3)13/h10,13H,4-7H2,1-3H3 |
| InChIKey | PDLLYFVCYZMVBH-UHFFFAOYSA-N |
| Molecular Weight | 205.316 g/mol |
| SMILES | C(S)(CNCCC(OCC)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.986502 |