| SpectraBase Spectrum ID |
1zoa0Lga64m |
| Name |
Octadecanoic acid, 6-amino-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.298079498 u |
| Formula |
C19H39NO2 |
| InChI |
InChI=1S/C19H39NO2/c1-3-4-5-6-7-8-9-10-11-12-15-18(20)16-13-14-17-19(21)22-2/h18H,3-17,20H2,1-2H3 |
| InChIKey |
ZFMVHOIOWARVFW-UHFFFAOYSA-N |
| Molecular Weight |
313.526 g/mol |
| SMILES |
C(C(CCCCCCCCCCCC)N)CCCC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874598 |
