| SpectraBase Compound ID | 7dB7prPGhD7 |
|---|---|
| InChI | InChI=1S/C19H18O5/c1-5-9(2)13-8-14(21)11(4)17-18(13)23-15-7-12(20)6-10(3)16(15)19(22)24-17/h5-8,20-21H,1-4H3/b9-5+ |
| InChIKey | ZPPIKBUIYSSQEH-WEVVVXLNSA-N |
| Mol Weight | 326.35 g/mol |
| Molecular Formula | C19H18O5 |
| Exact Mass | 326.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EIhocQVVCm8 |
|---|---|
| Name | Unguinol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.115423675 u |
| Formula | C19H18O5 |
| InChI | InChI=1S/C19H18O5/c1-5-9(2)13-8-14(21)11(4)17-18(13)23-15-7-12(20)6-10(3)16(15)19(22)24-17/h5-8,20-21H,1-4H3/b9-5+ |
| InChIKey | ZPPIKBUIYSSQEH-WEVVVXLNSA-N |
| Molecular Weight | 326.348 g/mol |
| SMILES | C1(O)=CC(C)=C2C(=O)OC3=C(C(O)=CC(\C(C)=C\C)=C3OC2=C1)C |