SpectraBase Spectrum ID |
KKRR92TAB0T |
Name |
1-Acenaphthenone, 3-acetamino- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
225.078978596 u |
Formula |
C14H11NO2 |
InChI |
InChI=1S/C14H11NO2/c1-8(16)15-12-6-5-9-3-2-4-10-13(17)7-11(12)14(9)10/h2-6H,7H2,1H3,(H,15,16) |
InChIKey |
LCLOEWSENBYPGR-UHFFFAOYSA-N |
Molecular Weight |
225.247 g/mol |
SMILES |
C1=CC=2C(CC=3C2C(=C1)C=CC3NC(C)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96865 |