| SpectraBase Spectrum ID |
50AfqX1mxYk |
| Name |
(2S,4S,9ar)-4-(3,4-Dimethoxyphenyl)-2,3,4,6,7,8,9,9A-octahydro-1H-quinolizin-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.183443666 u |
| Formula |
C17H25NO3 |
| InChI |
InChI=1S/C17H25NO3/c1-20-16-7-6-12(9-17(16)21-2)15-11-14(19)10-13-5-3-4-8-18(13)15/h6-7,9,13-15,19H,3-5,8,10-11H2,1-2H3/t13-,14+,15+/m1/s1 |
| InChIKey |
YEFMCXAZLNBVEN-ILXRZTDVSA-N |
| SMILES |
[C@]1(N2[C@@](C[C@@](C1)(O)[H])(CCCC2)[H])(C=1C=C(OC)C(=CC1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936591 |
