SpectraBase Spectrum ID |
99jHVTLRXgB |
Name |
Picolinyl 14-methyl-heptadecanoate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
375.313729562 u |
Formula |
C24H41NO2 |
InChI |
InChI=1S/C24H41NO2/c1-3-15-22(2)16-12-10-8-6-4-5-7-9-11-13-18-24(26)27-21-23-17-14-19-25-20-23/h14,17,19-20,22H,3-13,15-16,18,21H2,1-2H3 |
InChIKey |
DLYIBORMHZOLII-UHFFFAOYSA-N |
Molecular Weight |
375.597 g/mol |
SMILES |
C1=CN=CC(=C1)COC(CCCCCCCCCCCCC(CCC)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908158 |