SpectraBase Spectrum ID |
EmYb5cs2pzi |
Name |
1,5-Diazacyclotridecan-6-one, 1-acetyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
240.183778019 u |
Formula |
C13H24N2O2 |
InChI |
InChI=1S/C13H24N2O2/c1-12(16)15-10-6-4-2-3-5-8-13(17)14-9-7-11-15/h2-11H2,1H3,(H,14,17) |
InChIKey |
AMWZXQSCVZHXMP-UHFFFAOYSA-N |
Molecular Weight |
240.347 g/mol |
SMILES |
C(N1CCCNC(=O)CCCCCCC1)(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837254 |