| SpectraBase Spectrum ID |
J3Ii4ha98Jr |
| Name |
8-(Dihydroxyhexenyl)-5-(hydroxypentyl)-6-ethyl-indolizidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.292994117 u |
| Formula |
C21H39NO3 |
| InChI |
InChI=1S/C21H39NO3/c1-2-17-16-18(10-5-3-7-13-21(24)25)20-12-9-14-22(20)19(17)11-6-4-8-15-23/h5,10,17-21,23-25H,2-4,6-9,11-16H2,1H3/b10-5+ |
| InChIKey |
SCAGAMNFTNXXTM-BJMVGYQFSA-N |
| Molecular Weight |
353.547 g/mol |
| SMILES |
C12N(C(C(CC2\C=C\CCCC(O)O)CC)CCCCCO)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85255 |
