| SpectraBase Spectrum ID |
DW5Oo1hsrLE |
| Name |
14-Methylhexadecanoic acid, picolinyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.298079498 u |
| Formula |
C23H39NO2 |
| InChI |
InChI=1S/C23H39NO2/c1-3-21(2)15-12-10-8-6-4-5-7-9-11-13-17-23(25)26-20-22-16-14-18-24-19-22/h14,16,18-19,21H,3-13,15,17,20H2,1-2H3 |
| InChIKey |
DETPTYSSZNSZLH-UHFFFAOYSA-N |
| Molecular Weight |
361.570 g/mol |
| SMILES |
C1=CN=CC(=C1)COC(=O)CCCCCCCCCCCCC(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882385 |
