| SpectraBase Compound ID | 1TOiVUbMpez |
|---|---|
| InChI | InChI=1S/C13H15NO4S/c1-8(15)14-11(13(16)17)7-19-12(14)9-3-5-10(18-2)6-4-9/h3-6,11-12H,7H2,1-2H3,(H,16,17) |
| InChIKey | HMYDLHFCLSTJNZ-UHFFFAOYSA-N |
| Mol Weight | 281.33 g/mol |
| Molecular Formula | C13H15NO4S |
| Exact Mass | 281.072179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | APTKLpvH9nz |
|---|---|
| Name | 3-Acetyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.072179137 u |
| Formula | C13H15NO4S |
| InChI | InChI=1S/C13H15NO4S/c1-8(15)14-11(13(16)17)7-19-12(14)9-3-5-10(18-2)6-4-9/h3-6,11-12H,7H2,1-2H3,(H,16,17) |
| InChIKey | HMYDLHFCLSTJNZ-UHFFFAOYSA-N |
| SMILES | C1C(N(C(S1)C1=CC=C(C=C1)OC)C(C)=O)C(O)=O |