| SpectraBase Compound ID | BYFrB2R7vCr |
|---|---|
| InChI | InChI=1S/C15H21NO4/c1-5-8-20-15-13(18-3)9-12(10-14(15)19-4)6-7-16-11(2)17/h5,9-10H,1,6-8H2,2-4H3,(H,16,17) |
| InChIKey | NJFWOBAQGYITIY-UHFFFAOYSA-N |
| Mol Weight | 279.34 g/mol |
| Molecular Formula | C15H21NO4 |
| Exact Mass | 279.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Em54W23T2Gr |
|---|---|
| Name | Allylescaline acetyl derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.147058156 u |
| Formula | C15H21NO4 |
| InChI | InChI=1S/C15H21NO4/c1-5-8-20-15-13(18-3)9-12(10-14(15)19-4)6-7-16-11(2)17/h5,9-10H,1,6-8H2,2-4H3,(H,16,17) |
| InChIKey | NJFWOBAQGYITIY-UHFFFAOYSA-N |
| Molecular Weight | 279.336 g/mol |
| SMILES | N(CCC=1C=C(C(=C(C1)OC)OCC=C)OC)C(=O)C |