| SpectraBase Compound ID | 2p5sFRTF3h9 |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-3-4-11(17-9(2)14)10-5-6-12-13(7-10)16-8-15-12/h5-7,11H,3-4,8H2,1-2H3 |
| InChIKey | SKTAXJVKOBDLFR-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kjmss0evZ5f |
|---|---|
| Name | bdb Intermediate-1 ac @P538 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-3-4-11(17-9(2)14)10-5-6-12-13(7-10)16-8-15-12/h5-7,11H,3-4,8H2,1-2H3 |
| InChIKey | SKTAXJVKOBDLFR-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C=1C=C(C(OC(C)=O)CCC)C=C2OCOC12 |