| SpectraBase Spectrum ID |
LS7DlnseRML |
| Name |
2-Aminocaprylic acid, N-isobutoxycarbonyl-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
483.428759315 u |
| Formula |
C29H57NO4 |
| InChI |
InChI=1S/C29H57NO4/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-33-28(31)27(23-21-10-8-6-2)30-29(32)34-25-26(3)4/h26-27H,5-25H2,1-4H3,(H,30,32) |
| InChIKey |
LHSYPNIMMDAWJC-UHFFFAOYSA-N |
| Molecular Weight |
483.778 g/mol |
| SMILES |
CCCCCCC(NC(OCC(C)C)=O)C(=O)OCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937709 |
