| SpectraBase Compound ID | JPZcBShH8Kg |
|---|---|
| InChI | InChI=1S/C12H12N2O3S/c15-10(16)7-6-9-11(17)14(12(18)13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,15,16) |
| InChIKey | ULKNJYDXLYMGFB-UHFFFAOYSA-N |
| Mol Weight | 264.3 g/mol |
| Molecular Formula | C12H12N2O3S |
| Exact Mass | 264.056863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 82erzp80SQ0 |
|---|---|
| Name | pth-Glutamic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.056863425 u |
| Formula | C12H12N2O3S |
| InChI | InChI=1S/C12H12N2O3S/c15-10(16)7-6-9-11(17)14(12(18)13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,15,16) |
| InChIKey | ULKNJYDXLYMGFB-UHFFFAOYSA-N |
| SMILES | C1(=S)N(C(C(N1)CCC(=O)O)=O)C=1C=CC=CC1 |