| SpectraBase Spectrum ID |
FRTM4wuvis |
| Name |
Picolinyl 10-methyl,17--ethoxy-heptadecanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.339944310 u |
| Formula |
C26H45NO3 |
| InChI |
InChI=1S/C26H45NO3/c1-3-29-21-14-10-6-8-12-17-24(2)16-11-7-4-5-9-13-19-26(28)30-23-25-18-15-20-27-22-25/h15,18,20,22,24H,3-14,16-17,19,21,23H2,1-2H3 |
| InChIKey |
OHOZQHQNJKHAPR-UHFFFAOYSA-N |
| Molecular Weight |
419.650 g/mol |
| SMILES |
C(CC(=O)OCC1=CC=CN=C1)CCCCCCC(CCCCCCCOCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877754 |
