| SpectraBase Spectrum ID |
2HAb7v0BkKN |
| Name |
2-Hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)tetracosanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
683.642774836 u |
| Formula |
C42H85NO5 |
| InChI |
InChI=1S/C42H85NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48) |
| InChIKey |
ZFUXWVVVWGWGPQ-UHFFFAOYSA-N |
| SMILES |
C(NC(C(C(O)CCCCCCCCCCCCCC)O)CO)(=O)C(O)CCCCCCCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856185 |
