| SpectraBase Spectrum ID |
BenS5x4Hisw |
| Name |
15-Methyl-hexadecan-1-ol, nicotinate |
| 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/c1-21(2)16-13-11-9-7-5-3-4-6-8-10-12-14-19-26-23(25)22-17-15-18-24-20-22/h15,17-18,20-21H,3-14,16,19H2,1-2H3 |
| InChIKey |
KUQUTIGXEIJSKE-UHFFFAOYSA-N |
| Molecular Weight |
361.570 g/mol |
| SMILES |
C1=CN=CC(=C1)C(=O)OCCCCCCCCCCCCCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903416 |
