SpectraBase Spectrum ID |
HqRlWFVRNMx |
Name |
2-(3-Hydroxyphenyl)ethanol, di(pentafluoropropionate) |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
430.026290364 u |
Formula |
C14H8F10O4 |
InChI |
InChI=1S/C14H8F10O4/c15-11(16,13(19,20)21)9(25)27-5-4-7-2-1-3-8(6-7)28-10(26)12(17,18)14(22,23)24/h1-3,6H,4-5H2 |
InChIKey |
NNUNYOBTHBAZPV-UHFFFAOYSA-N |
Molecular Weight |
430.198 g/mol |
SMILES |
C1=C(C=CC=C1OC(C(C(F)(F)F)(F)F)=O)CCOC(C(C(F)(F)F)(F)F)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850551 |