| SpectraBase Compound ID | Lkczo5SOZTR |
|---|---|
| InChI | InChI=1S/C14H16O4/c1-3-5-10-14(16)18-12-9-7-6-8-11(12)17-13(15)4-2/h4,6-9H,2-3,5,10H2,1H3 |
| InChIKey | OFBDJLXGVVONBA-UHFFFAOYSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C14H16O4 |
| Exact Mass | 248.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4u7lrsPuso |
|---|---|
| Name | 1,2-Benzenediol, o-acryloyl-o'-valeryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.104858991 u |
| Formula | C14H16O4 |
| InChI | InChI=1S/C14H16O4/c1-3-5-10-14(16)18-12-9-7-6-8-11(12)17-13(15)4-2/h4,6-9H,2-3,5,10H2,1H3 |
| InChIKey | OFBDJLXGVVONBA-UHFFFAOYSA-N |
| Molecular Weight | 248.278 g/mol |
| SMILES | C1(=CC=CC=C1OC(C=C)=O)OC(=O)CCCC |