| SpectraBase Spectrum ID |
2PEs7k217GZ |
| Name |
2-Aminocaprylic acid, N-isobutoxycarbonyl-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
469.413109251 u |
| Formula |
C28H55NO4 |
| InChI |
InChI=1S/C28H55NO4/c1-5-7-9-11-12-13-14-15-16-17-18-19-21-23-32-27(30)26(22-20-10-8-6-2)29-28(31)33-24-25(3)4/h25-26H,5-24H2,1-4H3,(H,29,31) |
| InChIKey |
ATXGFWKJAMYQNI-UHFFFAOYSA-N |
| Molecular Weight |
469.751 g/mol |
| SMILES |
C(CCCC(NC(OCC(C)C)=O)C(=O)OCCCCCCCCCCCCCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916371 |
