| SpectraBase Spectrum ID |
3Ww95aicvQ |
| Name |
Caffeic acid ME2HFB @ |
| Classification |
Plant ingredient |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
586.009732254 u |
| Formula |
C18H8F14O6 |
| InChI |
InChI=1S/C18H8F14O6/c1-36-10(33)5-3-7-2-4-8(37-11(34)13(19,20)15(23,24)17(27,28)29)9(6-7)38-12(35)14(21,22)16(25,26)18(30,31)32/h2-6H,1H3/b5-3+ |
| InChIKey |
WABWXSQEXYQJSG-HWKANZROSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
586.234 g/mol |
| SMILES |
c1(cc(c(cc1)OC(C(F)(C(C(F)(F)F)(F)F)F)=O)OC(C(C(C(F)(F)F)(F)F)(F)F)=O)\C=C\C(OC)=O |
| SPLASH |
splash10-066r-8904050000-37130c7411ce067c7cfd |
| 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 |
| Synonyms |
3,4-Dihydroxycinnamic acid ME2HFB |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5971 |
