| SpectraBase Spectrum ID |
6RzG14moYcH |
| Name |
(2S)-1-Benzyloxycarbonyl-2-(12'-ethylidenedioxy-1'-dodecenyl)pyrrolidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.287908736 u |
| Formula |
C26H39NO4 |
| InChI |
InChI=1S/C26H39NO4/c28-26(31-22-23-14-9-8-10-15-23)27-19-13-17-24(27)16-11-6-4-2-1-3-5-7-12-18-25-29-20-21-30-25/h8-11,14-16,24-25H,1-7,12-13,17-22H2/b16-11+/t24-/m1/s1 |
| InChIKey |
GXAFWZNLAARXIR-JOPVOSQUSA-N |
| Molecular Weight |
429.601 g/mol |
| SMILES |
C(N1[C@](\C=C\CCCCCCCCCC2OCCO2)(CCC1)[H])(OCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858015 |
