SpectraBase Spectrum ID |
4lNRTaas2u5 |
Name |
L-Proline, N-isobutoxycarbonyl-, pentadecyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
425.350508993 u |
Formula |
C25H47NO4 |
InChI |
InChI=1S/C25H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-24(27)23-18-17-19-26(23)25(28)30-21-22(2)3/h22-23H,4-21H2,1-3H3 |
InChIKey |
XFMWCKULNPJPNZ-UHFFFAOYSA-N |
Molecular Weight |
425.654 g/mol |
SMILES |
C1(N(CCC1)C(=O)OCC(C)C)C(OCCCCCCCCCCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87568 |