| SpectraBase Compound ID | Izu9celld6c |
|---|---|
| InChI | InChI=1S/C14H17NO4/c1-3-4-11(15(2)8-16)14(17)10-5-6-12-13(7-10)19-9-18-12/h5-8,11H,3-4,9H2,1-2H3 |
| InChIKey | OGQQTKFSEDCZNW-UHFFFAOYSA-N |
| Mol Weight | 263.29 g/mol |
| Molecular Formula | C14H17NO4 |
| Exact Mass | 263.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FCRiMkwBAES |
|---|---|
| Name | Pentylone form |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.115758027 u |
| Formula | C14H17NO4 |
| InChI | InChI=1S/C14H17NO4/c1-3-4-11(15(2)8-16)14(17)10-5-6-12-13(7-10)19-9-18-12/h5-8,11H,3-4,9H2,1-2H3 |
| InChIKey | OGQQTKFSEDCZNW-UHFFFAOYSA-N |
| Molecular Weight | 263.293 g/mol |
| SMILES | C=1(C(C(N(C=O)C)CCC)=O)C=C2C(=CC1)OCO2 |