| SpectraBase Compound ID | 13xBWNlICDF |
|---|---|
| InChI | InChI=1S/C15H19NO3/c17-13(6-9-16-7-2-1-3-8-16)12-4-5-14-15(10-12)19-11-18-14/h4-5,10H,1-3,6-9,11H2 |
| InChIKey | DJXZMJWCDITTEO-UHFFFAOYSA-N |
| Mol Weight | 261.32 g/mol |
| Molecular Formula | C15H19NO3 |
| Exact Mass | 261.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4NZ65BkxXPN |
|---|---|
| Name | 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.136493473 u |
| Formula | C15H19NO3 |
| InChI | InChI=1S/C15H19NO3/c17-13(6-9-16-7-2-1-3-8-16)12-4-5-14-15(10-12)19-11-18-14/h4-5,10H,1-3,6-9,11H2 |
| InChIKey | DJXZMJWCDITTEO-UHFFFAOYSA-N |
| Molecular Weight | 261.321 g/mol |
| SMILES | C1=C2C(=CC=C1C(CCN1CCCCC1)=O)OCO2 |