| SpectraBase Compound ID | 6Of11zCQEaA |
|---|---|
| InChI | InChI=1S/C12H11ClO4/c1-2-11(14)16-9-4-3-5-10(8-9)17-12(15)6-7-13/h2-5,8H,1,6-7H2 |
| InChIKey | LVUVXSDKQRKUEK-UHFFFAOYSA-N |
| Mol Weight | 254.67 g/mol |
| Molecular Formula | C12H11ClO4 |
| Exact Mass | 254.034587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | feK1Jhk5HK |
|---|---|
| Name | 1,3-Benzenediol, o-acryloyl-o'-(3-chloropropionyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.034586530 u |
| Formula | C12H11ClO4 |
| InChI | InChI=1S/C12H11ClO4/c1-2-11(14)16-9-4-3-5-10(8-9)17-12(15)6-7-13/h2-5,8H,1,6-7H2 |
| InChIKey | LVUVXSDKQRKUEK-UHFFFAOYSA-N |
| Molecular Weight | 254.669 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(C=C)=O)OC(=O)CCCl |