| SpectraBase Spectrum ID |
CoXfHZ54e4w |
| Name |
4-Hydroxy-3-methoxybenzyl alcohol, 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/c1-33-8-4-6(5-34-9(31)11(17,18)13(21,22)15(25,26)27)2-3-7(8)35-10(32)12(19,20)14(23,24)16(28,29)30/h2-4H,5H2,1H3 |
| InChIKey |
TVNQTECLNYCNDM-UHFFFAOYSA-N |
| Molecular Weight |
546.213 g/mol |
| SMILES |
C1=C(C(=CC=C1COC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928847 |
