| SpectraBase Spectrum ID |
4e47VJOmSe |
| Name |
4-Methylcatechol 2PFP |
| Classification |
Biomolecule |
| Comments |
Original RI info: <1000* |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
416.010640299 u |
| Formula |
C13H6F10O4 |
| InChI |
InChI=1S/C13H6F10O4/c1-5-2-3-6(26-8(24)10(14,15)12(18,19)20)7(4-5)27-9(25)11(16,17)13(21,22)23/h2-4H,1H3 |
| InChIKey |
GEEXZXKJTBLMOS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
416.171 g/mol |
| SMILES |
c1cc(c(cc1C)OC(=O)C(C(F)(F)F)(F)F)OC(C(C(F)(F)F)(F)F)=O |
| SPLASH |
splash10-014i-9440200000-3230b7c229a742520f97 |
| 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_5989 |
