| SpectraBase Spectrum ID |
3LKH43duKHO |
| Name |
2-(3-Hydroxyphenyl)ethanol, di(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
530.019903016 u |
| Formula |
C16H8F14O4 |
| InChI |
InChI=1S/C16H8F14O4/c17-11(18,13(21,22)15(25,26)27)9(31)33-5-4-7-2-1-3-8(6-7)34-10(32)12(19,20)14(23,24)16(28,29)30/h1-3,6H,4-5H2 |
| InChIKey |
CSCHJSIOGGZNKP-UHFFFAOYSA-N |
| Molecular Weight |
530.214 g/mol |
| SMILES |
C1=C(C=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)CCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938644 |
