| SpectraBase Spectrum ID |
8JK2M1aUNKS |
| Name |
Caffeic acid 2ME |
| Classification |
Lignin intermediate derivative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
208.073558862 u |
| Formula |
C11H12O4 |
| InChI |
InChI=1S/C11H12O4/c1-14-10-5-3-8(7-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4- |
| InChIKey |
JTLOUXXZZFFBBW-XQRVVYSFSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
208.213 g/mol |
| Nominal Mass |
208 u |
| Quality |
932 |
| Retention Index |
1497 |
| SMILES |
OC=1C(=CC=C(C1)\C=C/C(OC)=O)OC |
| SPLASH |
splash10-0a6s-3930000000-0fe0ca7eb01e1730b063 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl (2Z)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025424 |
