| SpectraBase Spectrum ID |
4mIrADJUDLU |
| Name |
N-Propenyl-3-butylisoquinolin-1(2H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
241.146664235 u |
| Formula |
C16H19NO |
| InChI |
InChI=1S/C16H19NO/c1-3-5-9-14-12-13-8-6-7-10-15(13)16(18)17(14)11-4-2/h4,6-8,10-12H,3,5,9H2,1-2H3/b11-4+ |
| InChIKey |
RLPVJGSBJKFUCC-NYYWCZLTSA-N |
| Molecular Weight |
241.334 g/mol |
| SMILES |
C1(N(C(=CC=2C=CC=CC12)CCCC)\C=C\C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906953 |
