| SpectraBase Spectrum ID |
I2iHHpySuqK |
| Name |
Piperidine, 4-acetyl-4-phenyl-1-[4-bromobenzoylmethyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.083391950 u |
| Formula |
C21H22BrNO2 |
| InChI |
InChI=1S/C21H22BrNO2/c1-16(24)21(18-5-3-2-4-6-18)11-13-23(14-12-21)15-20(25)17-7-9-19(22)10-8-17/h2-10H,11-15H2,1H3 |
| InChIKey |
LWJHCNSXCSKZPX-UHFFFAOYSA-N |
| Molecular Weight |
400.316 g/mol |
| SMILES |
C1=C(C=CC=C1)C1(CCN(CC(C2=CC=C(C=C2)Br)=O)CC1)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877253 |
![Piperidine, 4-acetyl-4-phenyl-1-[4-bromobenzoylmethyl]-](/api/spectrum/I2iHHpySuqK/structure.png?h=300&w=458 "Piperidine, 4-acetyl-4-phenyl-1-[4-bromobenzoylmethyl]-")
