| SpectraBase Compound ID | LVEsFSiVKz3 |
|---|---|
| InChI | InChI=1S/C16H22ClNO/c17-10-5-4-8-15-13-18(11-9-16(15)19)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2 |
| InChIKey | YBPSBHGHHSUWSE-UHFFFAOYSA-N |
| Mol Weight | 279.81 g/mol |
| Molecular Formula | C16H22ClNO |
| Exact Mass | 279.138992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HPOrDCV16x |
|---|---|
| Name | 4-Piperidinone, 3-(3-chlorobutyl)-1-(phenylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.138992031 u |
| Formula | C16H22ClNO |
| InChI | InChI=1S/C16H22ClNO/c17-10-5-4-8-15-13-18(11-9-16(15)19)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2 |
| InChIKey | YBPSBHGHHSUWSE-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)CN1CCC(=O)C(C1)CCCCCl |