| SpectraBase Spectrum ID |
JBr3zPqWT82 |
| Name |
Piperidine, 1-(4-tert-butylbenzoyl)-3-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.193614428 u |
| Formula |
C17H25NO |
| InChI |
InChI=1S/C17H25NO/c1-13-6-5-11-18(12-13)16(19)14-7-9-15(10-8-14)17(2,3)4/h7-10,13H,5-6,11-12H2,1-4H3 |
| InChIKey |
AMRVIJXAPVBXJO-UHFFFAOYSA-N |
| Molecular Weight |
259.393 g/mol |
| SMILES |
C(N1CCCC(C)C1)(=O)C1=CC=C(C=C1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970696 |
