| SpectraBase Spectrum ID |
WgtEDYDEE0 |
| Name |
N-Methyl-4-[(E)-2'-heptenylidenyl]-3,4-dihydroisoquinolin-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
255.162314299 u |
| Formula |
C17H21NO |
| InChI |
InChI=1S/C17H21NO/c1-3-4-5-6-7-10-14-13-18(2)17(19)16-12-9-8-11-15(14)16/h6-12H,3-5,13H2,1-2H3/b7-6+,14-10- |
| InChIKey |
MELATLPMOAFPLR-FKEISFMISA-N |
| Molecular Weight |
255.361 g/mol |
| SMILES |
C1(N(C\C(C2=C1C=CC=C2)=C\C=C\CCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964181 |
![N-Methyl-4-[(E)-2'-heptenylidenyl]-3,4-dihydroisoquinolin-1-one](/api/spectrum/WgtEDYDEE0/structure.png?h=300&w=458 "N-Methyl-4-[(E)-2'-heptenylidenyl]-3,4-dihydroisoquinolin-1-one")
