| SpectraBase Compound ID | JchqmNj8oqm |
|---|---|
| InChI | InChI=1S/C17H18O5/c1-4-15(18)22-17(2,3)14-8-11-7-10-5-6-16(19)21-12(10)9-13(11)20-14/h5-7,9,14H,4,8H2,1-3H3 |
| InChIKey | QTOMHXTZFVQCJW-UHFFFAOYSA-N |
| Mol Weight | 302.33 g/mol |
| Molecular Formula | C17H18O5 |
| Exact Mass | 302.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HOAt4afA5Iu |
|---|---|
| Name | Marmesin - propionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.115423675 u |
| Formula | C17H18O5 |
| InChI | InChI=1S/C17H18O5/c1-4-15(18)22-17(2,3)14-8-11-7-10-5-6-16(19)21-12(10)9-13(11)20-14/h5-7,9,14H,4,8H2,1-3H3 |
| InChIKey | QTOMHXTZFVQCJW-UHFFFAOYSA-N |
| SMILES | C=12OC(CC2=CC2=C(C1)OC(=O)C=C2)C(OC(=O)CC)(C)C |