| SpectraBase Compound ID | ECddJN0lNTY |
|---|---|
| InChI | InChI=1S/C14H18BrNO/c15-13-7-3-2-6-12(13)14(17)8-11-16-9-4-1-5-10-16/h2-3,6-7H,1,4-5,8-11H2 |
| InChIKey | FVBBUZIIXMGAEJ-UHFFFAOYSA-N |
| Mol Weight | 296.21 g/mol |
| Molecular Formula | C14H18BrNO |
| Exact Mass | 295.057177 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6HSAoEBWi80 |
|---|---|
| Name | 1-(2-Bromophenyl)-3-(1-piperidinyl)-1-propanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.057177203 u |
| Formula | C14H18BrNO |
| InChI | InChI=1S/C14H18BrNO/c15-13-7-3-2-6-12(13)14(17)8-11-16-9-4-1-5-10-16/h2-3,6-7H,1,4-5,8-11H2 |
| InChIKey | FVBBUZIIXMGAEJ-UHFFFAOYSA-N |
| SMILES | C=1(C(CCN2CCCCC2)=O)C(Br)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.855227 |