| SpectraBase Compound ID | BSxPwcbOslE |
|---|---|
| InChI | InChI=1S/C9H11NO3S/c1-6(9(12)13-2)10-8(11)7-4-3-5-14-7/h3-6H,1-2H3,(H,10,11) |
| InChIKey | RGWBJRKEIGMOOW-UHFFFAOYSA-N |
| Mol Weight | 213.25 g/mol |
| Molecular Formula | C9H11NO3S |
| Exact Mass | 213.045964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HiOwra2zoZF |
|---|---|
| Name | L-Alanine, N-(2-thienylcarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.045964389 u |
| Formula | C9H11NO3S |
| InChI | InChI=1S/C9H11NO3S/c1-6(9(12)13-2)10-8(11)7-4-3-5-14-7/h3-6H,1-2H3,(H,10,11) |
| InChIKey | RGWBJRKEIGMOOW-UHFFFAOYSA-N |
| Molecular Weight | 213.251 g/mol |
| SMILES | CC(C(OC)=O)NC(=O)C1=CC=CS1 |