| SpectraBase Compound ID | LGLfe5CiYAk |
|---|---|
| InChI | InChI=1S/C12H14O5/c1-8(13)17-10-5-4-9(6-11(10)15-2)7-12(14)16-3/h4-6H,7H2,1-3H3 |
| InChIKey | SEHYXBTZDJXHIT-UHFFFAOYSA-N |
| Mol Weight | 238.24 g/mol |
| Molecular Formula | C12H14O5 |
| Exact Mass | 238.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8H8PF7OWGrf |
|---|---|
| Name | Benzeneacetic acid, 4-(acetyloxy)-3-methoxy-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.084123546 u |
| Formula | C12H14O5 |
| InChI | InChI=1S/C12H14O5/c1-8(13)17-10-5-4-9(6-11(10)15-2)7-12(14)16-3/h4-6H,7H2,1-3H3 |
| InChIKey | SEHYXBTZDJXHIT-UHFFFAOYSA-N |
| Molecular Weight | 238.239 g/mol |
| SMILES | C(OC1=C(OC)C=C(C=C1)CC(OC)=O)(C)=O |