| SpectraBase Spectrum ID |
Hb5VhXgYa5g |
| Name |
Caffeic acid ME2PFP @ |
| Classification |
Plant ingredient |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
486.016119602 u |
| Formula |
C16H8F10O6 |
| InChI |
InChI=1S/C16H8F10O6/c1-30-10(27)5-3-7-2-4-8(31-11(28)13(17,18)15(21,22)23)9(6-7)32-12(29)14(19,20)16(24,25)26/h2-6H,1H3/b5-3+ |
| InChIKey |
PGOHTTVHHXYMKP-HWKANZROSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
486.218 g/mol |
| SMILES |
c1(cc(c(cc1)OC(C(F)(C(F)(F)F)F)=O)OC(C(C(F)(F)F)(F)F)=O)\C=C\C(OC)=O |
| SPLASH |
splash10-066r-7932700000-1aff6bbf874ab8ea122c |
| 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 ME2PFP |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5970 |
