| SpectraBase Compound ID | BK45lKEDfVn |
|---|---|
| InChI | InChI=1S/C16H17NO5/c1-16(2)11(18)6-9-13(19-3)8-4-5-10-14(21-7-20-10)12(8)17-15(9)22-16/h4-5,11,18H,6-7H2,1-3H3 |
| InChIKey | YQLAEXHOVHTUNV-UHFFFAOYSA-N |
| Mol Weight | 303.31 g/mol |
| Molecular Formula | C16H17NO5 |
| Exact Mass | 303.110673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I8LXIWuvfqq |
|---|---|
| Name | Pteleflorine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.110672646 u |
| Formula | C16H17NO5 |
| InChI | InChI=1S/C16H17NO5/c1-16(2)11(18)6-9-13(19-3)8-4-5-10-14(21-7-20-10)12(8)17-15(9)22-16/h4-5,11,18H,6-7H2,1-3H3 |
| InChIKey | YQLAEXHOVHTUNV-UHFFFAOYSA-N |
| SMILES | C1=2C(=C(OC)C=3C(N2)=C2C(OCO2)=CC3)CC(C(O1)(C)C)O |