| SpectraBase Compound ID | 7235EXclFxZ |
|---|---|
| InChI | InChI=1S/C12H12O4/c1-15-12(14)7-8-6-10(13)9-4-2-3-5-11(9)16-8/h2-5,8H,6-7H2,1H3/t8-/m0/s1 |
| InChIKey | BVQKVQJJUFUCMA-QMMMGPOBSA-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 | DjdampnaD6i |
|---|---|
| Name | 2-(4-Ketochroman-2-yl)acetic acid methyl ester |
| 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/c1-15-12(14)7-8-6-10(13)9-4-2-3-5-11(9)16-8/h2-5,8H,6-7H2,1H3/t8-/m0/s1 |
| InChIKey | BVQKVQJJUFUCMA-QMMMGPOBSA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | C1(C=2C(=CC=CC2)O[C@@](C1)(CC(=O)OC)[H])=O |