| SpectraBase Compound ID | 5N2EWfBLNrN |
|---|---|
| InChI | InChI=1S/C10H10O4/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12) |
| InChIKey | XISIEQIDFFXZCP-UHFFFAOYSA-N |
| Mol Weight | 194.19 g/mol |
| Molecular Formula | C10H10O4 |
| Exact Mass | 194.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1uFdqzLW3CV |
|---|---|
| Name | Butanedioic acid, monophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.057908798 u |
| Formula | C10H10O4 |
| InChI | InChI=1S/C10H10O4/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12) |
| InChIKey | XISIEQIDFFXZCP-UHFFFAOYSA-N |
| Molecular Weight | 194.186 g/mol |
| SMILES | C(O)(=O)CCC(=O)OC1=CC=CC=C1 |