| SpectraBase Compound ID | 6AaxO9lqa8j |
|---|---|
| InChI | InChI=1S/C17H18O5/c1-7-5-11(19)13-8(2)6-12(21-10(4)18)15-9(3)17(20)22-16(15)14(7)13/h5,12,14-16H,3,6H2,1-2,4H3/t12-,14-,15+,16+/m0/s1 |
| InChIKey | YFPJBKYKFAPKTA-ARLBYUKCSA-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 | 8M21w5ptwCd |
|---|---|
| Name | Dehydromatricarin |
| 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/c1-7-5-11(19)13-8(2)6-12(21-10(4)18)15-9(3)17(20)22-16(15)14(7)13/h5,12,14-16H,3,6H2,1-2,4H3/t12-,14-,15+,16+/m0/s1 |
| InChIKey | YFPJBKYKFAPKTA-ARLBYUKCSA-N |
| SMILES | [C@]12([C@@]3(C(C(=O)C=C3C)=C(C)C[C@@]([C@]1(C(=C)C(O2)=O)[H])(OC(=O)C)[H])[H])[H] |