| SpectraBase Compound ID | 2TIp7nNSwfT |
|---|---|
| InChI | InChI=1S/C14H16O6/c1-9(15)19-12-6-4-11(5-7-12)8-13(14(17)18-3)20-10(2)16/h4-7,13H,8H2,1-3H3 |
| InChIKey | RGUXLGYXMLKTAQ-UHFFFAOYSA-N |
| Mol Weight | 280.28 g/mol |
| Molecular Formula | C14H16O6 |
| Exact Mass | 280.094688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JXV0R97GSBP |
|---|---|
| Name | Benzenepropanoic acid, .alpha.,4-bis(acetyloxy)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.094688229 u |
| Formula | C14H16O6 |
| InChI | InChI=1S/C14H16O6/c1-9(15)19-12-6-4-11(5-7-12)8-13(14(17)18-3)20-10(2)16/h4-7,13H,8H2,1-3H3 |
| InChIKey | RGUXLGYXMLKTAQ-UHFFFAOYSA-N |
| SMILES | C(CC1=CC=C(C=C1)OC(C)=O)(C(OC)=O)OC(C)=O |