| SpectraBase Spectrum ID |
49zfXc3Pk25 |
| Name |
4'-Bromo-3-piperidinopropiophenone, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.033854935 u |
| Formula |
C14H19BrClNO |
| InChI |
InChI=1S/C14H18BrNO.ClH/c15-13-6-4-12(5-7-13)14(17)8-11-16-9-2-1-3-10-16;/h4-7H,1-3,8-11H2;1H |
| InChIKey |
BDKANQOMNJLWPS-UHFFFAOYSA-N |
| Molecular Weight |
332.669 g/mol |
| SMILES |
Cl.C=1C(=CC=C(C1)Br)C(CCN1CCCCC1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.965318 |