| SpectraBase Spectrum ID |
LGNoNiJGUc8 |
| Name |
Oxoapomorphine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.094628661 u |
| Formula |
C17H13NO2 |
| InChI |
InChI=1S/C17H13NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,9H,7-8H2,1H3 |
| InChIKey |
DZZIOGKZAPZOCK-UHFFFAOYSA-N |
| Molecular Weight |
263.296 g/mol |
| SMILES |
C1=2C3=C(C=CC=C3CCN1C)C1=C(C2)C=CC(=O)C1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871667 |