| SpectraBase Compound ID | 350QAgpqriL |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-9(2)17-14(19)8-12-6-7-13(20-11(4)18)10(3)16(12,5)15(17)21-17/h8,10,13,15H,1,6-7H2,2-5H3/t10-,13+,15+,16+,17-/m0/s1 |
| InChIKey | CAABNZJDJAYFFQ-CRJBSTRQSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L4YpRev3GVv |
|---|---|
| Name | 3-o-Acetyl-13-deoxyphomenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-9(2)17-14(19)8-12-6-7-13(20-11(4)18)10(3)16(12,5)15(17)21-17/h8,10,13,15H,1,6-7H2,2-5H3/t10-,13+,15+,16+,17-/m0/s1 |
| InChIKey | CAABNZJDJAYFFQ-CRJBSTRQSA-N |
| SMILES | C1[C@]([C@@]([C@@]2(C)[C@@]3([C@](C(C)=C)(C(C=C2C1)=O)O3)[H])(C)[H])(OC(C)=O)[H] |