| SpectraBase Compound ID | 1wpAQNivrTv |
|---|---|
| InChI | InChI=1S/C16H22O5/c1-5-6-13-10-16(21-12(3)18)14(9-15(13)19-4)7-8-20-11(2)17/h9-10H,5-8H2,1-4H3 |
| InChIKey | KRORGQCRMVZYEU-UHFFFAOYSA-N |
| Mol Weight | 294.35 g/mol |
| Molecular Formula | C16H22O5 |
| Exact Mass | 294.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EUA0Q0ezZ79 |
|---|---|
| Name | 2C-p-m (o-Demethyl-deamino-ho) 2ac P870 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.146723803 u |
| Formula | C16H22O5 |
| InChI | InChI=1S/C16H22O5/c1-5-6-13-10-16(21-12(3)18)14(9-15(13)19-4)7-8-20-11(2)17/h9-10H,5-8H2,1-4H3 |
| InChIKey | KRORGQCRMVZYEU-UHFFFAOYSA-N |
| Molecular Weight | 294.347 g/mol |
| SMILES | C(OC(C)=O)CC1=C(C=C(C(OC)=C1)CCC)OC(C)=O |