| SpectraBase Spectrum ID |
C3Y8Ckzt5cR |
| Name |
((S)-1-((S)-1-(4-Methoxyphenyl)-3-phenylprop-2-yn-1-yl)pyrrolidin-2-yl)methanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.172878983 u |
| Formula |
C21H23NO2 |
| InChI |
InChI=1S/C21H23NO2/c1-24-20-12-10-18(11-13-20)21(22-15-5-8-19(22)16-23)14-9-17-6-3-2-4-7-17/h2-4,6-7,10-13,19,21,23H,5,8,15-16H2,1H3/t19-,21+/m0/s1 |
| InChIKey |
PTRQNDMLVNVBQX-PZJWPPBQSA-N |
| Molecular Weight |
321.420 g/mol |
| SMILES |
C(O)[C@]1(N(CCC1)[C@](C#CC=1C=CC=CC1)(C=1C=CC(=CC1)OC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931194 |
