SpectraBase Spectrum ID |
9VoNA2tjqNJ |
Name |
9-aza-D-Homogona-13(14)-en-6-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
259.193614428 u |
Formula |
C17H25NO |
InChI |
InChI=1S/C17H25NO/c19-17-11-16-13-6-2-1-5-12(13)9-10-18(16)15-8-4-3-7-14(15)17/h14-16H,1-11H2 |
InChIKey |
GBLJWMALZUGUIQ-UHFFFAOYSA-N |
Molecular Weight |
259.393 g/mol |
SMILES |
C12CCCCC2N2C(CC1=O)C1=C(CCCC1)CC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957929 |