| SpectraBase Spectrum ID |
IXN2x7Cutc5 |
| Name |
8-Dehydro-desmethyl-pumiliotoxin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.188529047 u |
| Formula |
C15H25NO2 |
| InChI |
InChI=1S/C15H25NO2/c1-11(8-15(18)12(2)17)7-13-9-14-5-3-4-6-16(14)10-13/h7,9,11-12,15,17-18H,3-6,8,10H2,1-2H3/b13-7+ |
| InChIKey |
XODPTNLUJUVNAB-NTUHNPAUSA-N |
| Molecular Weight |
251.370 g/mol |
| SMILES |
C1=2N(C\C(C2)=C/C(CC(C(O)C)O)C)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827595 |
