| SpectraBase Spectrum ID |
AOBW4NkrEnK |
| Name |
((3S*,4S*,5R*)-1-Butyl-4-methoxy-3-methyl-5-allylpiperidin-3-yl)methanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
255.219829176 u |
| Formula |
C15H29NO2 |
| InChI |
InChI=1S/C15H29NO2/c1-5-7-9-16-10-13(8-6-2)14(18-4)15(3,11-16)12-17/h6,13-14,17H,2,5,7-12H2,1,3-4H3/t13-,14+,15+/m1/s1 |
| InChIKey |
VRPWMFICRACMEA-ILXRZTDVSA-N |
| Molecular Weight |
255.402 g/mol |
| SMILES |
[C@]1([C@]([C@@](CN(C1)CCCC)(CC=C)[H])(OC)[H])(CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971469 |
