| SpectraBase Compound ID | Aw6GNyUmm5N |
|---|---|
| InChI | InChI=1S/C12H12O4/c1-2-8(13)7-12(15)10-6-4-3-5-9(10)11(14)16-12/h3-6,15H,2,7H2,1H3 |
| InChIKey | VCEMTJBCKLXXLP-UHFFFAOYSA-N |
| Mol Weight | 220.22 g/mol |
| Molecular Formula | C12H12O4 |
| Exact Mass | 220.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AecH9HCSU0H |
|---|---|
| Name | 3-Hydroxy-3-(2'-OXOBUTYL0PHTHALIDE |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.073558862 u |
| Formula | C12H12O4 |
| InChI | InChI=1S/C12H12O4/c1-2-8(13)7-12(15)10-6-4-3-5-9(10)11(14)16-12/h3-6,15H,2,7H2,1H3 |
| InChIKey | VCEMTJBCKLXXLP-UHFFFAOYSA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | C1(OC(=O)C=2C1=CC=CC2)(CC(=O)CC)O |