| SpectraBase Compound ID | A4Qvmk4KOjb |
|---|---|
| InChI | InChI=1S/C11H12O4/c12-10(13)7-4-8-11(14)15-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13) |
| InChIKey | QDDBXDVLXQMEPG-UHFFFAOYSA-N |
| Mol Weight | 208.21 g/mol |
| Molecular Formula | C11H12O4 |
| Exact Mass | 208.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EAxF1iHH2Rx |
|---|---|
| Name | Glutaric acid, mono-phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.073558862 u |
| Formula | C11H12O4 |
| InChI | InChI=1S/C11H12O4/c12-10(13)7-4-8-11(14)15-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13) |
| InChIKey | QDDBXDVLXQMEPG-UHFFFAOYSA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | C1=CC(OC(=O)CCCC(=O)O)=CC=C1 |