| SpectraBase Compound ID | FbX25LwLH4f |
|---|---|
| InChI | InChI=1S/C12H12BrNO3S/c1-7(15)14-10(12(16)17)6-18-11(14)8-2-4-9(13)5-3-8/h2-5,10-11H,6H2,1H3,(H,16,17) |
| InChIKey | RQHDIPZZSXATDR-UHFFFAOYSA-N |
| Mol Weight | 330.2 g/mol |
| Molecular Formula | C12H12BrNO3S |
| Exact Mass | 328.972127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J8c5x1RaSbv |
|---|---|
| Name | 3-Acetyl-2-(4-bromophenyl)thiazolidine-4-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.972127421 u |
| Formula | C12H12BrNO3S |
| InChI | InChI=1S/C12H12BrNO3S/c1-7(15)14-10(12(16)17)6-18-11(14)8-2-4-9(13)5-3-8/h2-5,10-11H,6H2,1H3,(H,16,17) |
| InChIKey | RQHDIPZZSXATDR-UHFFFAOYSA-N |
| Molecular Weight | 330.196 g/mol |
| SMILES | C1(N(C(SC1)C1=CC=C(C=C1)Br)C(C)=O)C(O)=O |