SpectraBase Spectrum ID |
4JovFdehnB1 |
Name |
Sarcosine, N-pentafluoropropionyl-, heptadecyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
473.292834964 u |
Formula |
C23H40F5NO3 |
InChI |
InChI=1S/C23H40F5NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32-20(30)19-29(2)21(31)22(24,25)23(26,27)28/h3-19H2,1-2H3 |
InChIKey |
PXDKOQBLZXPDSQ-UHFFFAOYSA-N |
Molecular Weight |
473.569 g/mol |
SMILES |
CCCCCCCCCCCCCCCCCOC(CN(C(C(C(F)(F)F)(F)F)=O)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872123 |