SpectraBase Spectrum ID |
4tzfBxZfFLN |
Name |
3-Piperidino-2-butenophenone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
229.146664235 u |
Formula |
C15H19NO |
InChI |
InChI=1S/C15H19NO/c1-13(16-10-6-3-7-11-16)12-15(17)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3 |
InChIKey |
BDPXLOXBGREKNJ-UHFFFAOYSA-N |
Molecular Weight |
229.323 g/mol |
SMILES |
C=1C=CC=CC1C(=O)C=C(C)N1CCCCC1 |
Spectrum/Structure Validation Score (Raman) |
0.944721 |