| SpectraBase Spectrum ID |
3OBCMd7b1s |
| Name |
4-Methylcatechol 2HFB |
| Classification |
Biomolecule |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
516.004252951 u |
| Formula |
C15H6F14O4 |
| InChI |
InChI=1S/C15H6F14O4/c1-5-2-3-6(32-8(30)10(16,17)12(20,21)14(24,25)26)7(4-5)33-9(31)11(18,19)13(22,23)15(27,28)29/h2-4H,1H3 |
| InChIKey |
DODGRSCJRBAQLW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
516.187 g/mol |
| SMILES |
c1cc(c(cc1C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(C(C(C(F)(F)F)(F)F)(F)F)=O |
| SPLASH |
splash10-014i-9422010000-6f40ff0984eb8bf21518 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5991 |
