SpectraBase Spectrum ID |
G7o4Amn0WIf |
Name |
N1-(4-oxo-1,2,3,4-Tetrahydro-1-naphthalenyl)propanamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
217.110278725 u |
Formula |
C13H15NO2 |
InChI |
InChI=1S/C13H15NO2/c1-2-13(16)14-11-7-8-12(15)10-6-4-3-5-9(10)11/h3-6,11H,2,7-8H2,1H3,(H,14,16) |
InChIKey |
RLOCUJGVHXZSFK-UHFFFAOYSA-N |
Molecular Weight |
217.268 g/mol |
SMILES |
C(CC)(=O)NC1CCC(C=2C=CC=CC12)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94877 |