| SpectraBase Spectrum ID |
iaL3dlU04t |
| Name |
Tert-butyl 2-[(E)2-hydroxy-4-phenylbut-3-en-1-yl]pyrrolidine-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.199093730 u |
| Formula |
C19H27NO3 |
| InChI |
InChI=1S/C19H27NO3/c1-19(2,3)23-18(22)20-13-7-10-16(20)14-17(21)12-11-15-8-5-4-6-9-15/h4-6,8-9,11-12,16-17,21H,7,10,13-14H2,1-3H3/b12-11+/t16-,17?/m0/s1 |
| InChIKey |
AWNOAVUOHZZIGV-FSNYXLCYSA-N |
| Molecular Weight |
317.429 g/mol |
| SMILES |
C(N1[C@](CC(\C=C\C2=CC=CC=C2)O)(CCC1)[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818246 |
![Tert-butyl 2-[(E)2-hydroxy-4-phenylbut-3-en-1-yl]pyrrolidine-1-carboxylate](/api/spectrum/iaL3dlU04t/structure.png?h=300&w=458 "Tert-butyl 2-[(E)2-hydroxy-4-phenylbut-3-en-1-yl]pyrrolidine-1-carboxylate")
