| SpectraBase Spectrum ID |
6Zf5lIhX0YK |
| Name |
2-Methoxy-3-methyl-1,4-benzenediol, di-hfb |
| 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/c1-5-6(34-9(31)11(17,18)13(21,22)15(25,26)27)3-4-7(8(5)33-2)35-10(32)12(19,20)14(23,24)16(28,29)30/h3-4H,1-2H3 |
| InChIKey |
XJWWHYVINNMAER-UHFFFAOYSA-N |
| Molecular Weight |
546.213 g/mol |
| SMILES |
C1(=CC=C(C(=C1OC)C)OC(C(C(C(F)(F)F)(F)F)(F)F)=O)OC(C(C(C(F)(F)F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949001 |
