SpectraBase Spectrum ID |
ECB72Abp9ag |
Name |
3-Oxypentanol, 5-chloro, heptafluorobutyrate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
320.005018956 u |
Formula |
C8H8ClF7O3 |
InChI |
InChI=1S/C8H8ClF7O3/c9-1-2-18-3-4-19-5(17)6(10,11)7(12,13)8(14,15)16/h1-4H2 |
InChIKey |
VFWWIOIQKUUHFJ-UHFFFAOYSA-N |
Molecular Weight |
320.591 g/mol |
SMILES |
C(Cl)COCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820989 |