| SpectraBase Spectrum ID |
4IHDiaA0zyr |
| Name |
2-(2-Hydroxyethoxy)phenol, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
546.014817635 u |
| Formula |
C16H8F14O5 |
| InChI |
InChI=1S/C16H8F14O5/c17-11(18,13(21,22)15(25,26)27)9(31)34-6-5-33-7-3-1-2-4-8(7)35-10(32)12(19,20)14(23,24)16(28,29)30/h1-4H,5-6H2 |
| InChIKey |
RNBODFJLGRZVJQ-UHFFFAOYSA-N |
| Molecular Weight |
546.213 g/mol |
| SMILES |
C1(=CC=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952959 |
