| SpectraBase Spectrum ID |
C2wYDmvJpeN |
| Name |
Puberulumine;N-piperidyl-3-(3,4,5-trimethyoxyl-heptenyl)-trans-2-heptenamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.162708221 u |
| Formula |
C17H23NO4 |
| InChI |
InChI=1S/C17H23NO4/c1-20-14-11-13(12-15(21-2)17(14)22-3)7-8-16(19)18-9-5-4-6-10-18/h7-8,11-12H,4-6,9-10H2,1-3H3/b8-7+ |
| InChIKey |
GGOVLAUMYLPYAZ-BQYQJAHWSA-N |
| SMILES |
C1N(CCCC1)C(=O)\C=C\C1=CC(=C(C(=C1)OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950184 |
