| SpectraBase Compound ID | ByFH9pm13fj |
|---|---|
| InChI | InChI=1S/C6H13NO2S/c1-3-9-6(8)5(7)4-10-2/h5H,3-4,7H2,1-2H3 |
| InChIKey | SOUTVWYPVSFHNV-UHFFFAOYSA-N |
| Mol Weight | 163.23 g/mol |
| Molecular Formula | C6H13NO2S |
| Exact Mass | 163.0667 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FPYP3ueGK5k |
|---|---|
| Name | S-Methylcysteine, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.066699835 u |
| Formula | C6H13NO2S |
| InChI | InChI=1S/C6H13NO2S/c1-3-9-6(8)5(7)4-10-2/h5H,3-4,7H2,1-2H3 |
| InChIKey | SOUTVWYPVSFHNV-UHFFFAOYSA-N |
| Molecular Weight | 163.235 g/mol |
| SMILES | CSCC(C(OCC)=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.804453 |