SpectraBase Spectrum ID |
Kk6VprUs5DN |
Name |
Sophocarpine, N-oxide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
262.168127954 u |
Formula |
C15H22N2O2 |
InChI |
InChI=1S/C15H22N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h1,7,11-13,15H,2-6,8-10H2 |
InChIKey |
QMGGMESMCJCABO-UHFFFAOYSA-N |
Molecular Weight |
262.353 g/mol |
SMILES |
C1CCN2(C3C1CN1C(C3CCC2)CC=CC1=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956453 |