| SpectraBase Spectrum ID |
864DVxxwLcK |
| Name |
((S)-1-((S)-1-(4-Fluorophenyl)-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 |
309.152892430 u |
| Formula |
C20H20FNO |
| InChI |
InChI=1S/C20H20FNO/c21-18-11-9-17(10-12-18)20(22-14-4-7-19(22)15-23)13-8-16-5-2-1-3-6-16/h1-3,5-6,9-12,19-20,23H,4,7,14-15H2/t19-,20+/m0/s1 |
| InChIKey |
QTIWHWYPMPVTRH-VQTJNVASSA-N |
| Molecular Weight |
309.384 g/mol |
| SMILES |
C(O)[C@]1(N(CCC1)[C@](C#CC=1C=CC=CC1)(C=1C=CC(=CC1)F)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869787 |
