| SpectraBase Compound ID | DZIOr9Ek04C |
|---|---|
| InChI | InChI=1S/C19H25NO5/c1-12(21)24-18(9-13-3-7-16(22)8-4-13)19(23)25-17-10-14-5-6-15(11-17)20(14)2/h3-4,7-8,14-15,17-18,22H,5-6,9-11H2,1-2H3/t14-,15+,17?,18? |
| InChIKey | LDWBSZBICDWOCG-BXXOZEPKSA-N |
| Mol Weight | 347.41 g/mol |
| Molecular Formula | C19H25NO5 |
| Exact Mass | 347.173273 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FgIbTZQMdT |
|---|---|
| Name | Tropanyl (2-acetoxy-3-(para-hydroxyphenyl)propanoate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.173272904 u |
| Formula | C19H25NO5 |
| InChI | InChI=1S/C19H25NO5/c1-12(21)24-18(9-13-3-7-16(22)8-4-13)19(23)25-17-10-14-5-6-15(11-17)20(14)2/h3-4,7-8,14-15,17-18,22H,5-6,9-11H2,1-2H3/t14-,15+,17?,18? |
| InChIKey | LDWBSZBICDWOCG-BXXOZEPKSA-N |
| Molecular Weight | 347.411 g/mol |
| SMILES | C1(=CC=C(C=C1)O)CC(C(=O)OC1C[C@]2(CC[C@@](C1)(N2C)[H])[H])OC(C)=O |