| SpectraBase Spectrum ID |
8GXHOz7o1c8 |
| Name |
3,4-Dihydroxycinnamic acid |
| CAS Registry Number |
331-39-5 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
180.042258734 u |
| Formula |
C9H8O4 |
| InChI |
InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2- |
| InChIKey |
QAIPRVGONGVQAS-RQOWECAXSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
180.159 g/mol |
| Nominal Mass |
180 u |
| Quality |
853 |
| Retention Index |
1296 |
| SMILES |
OC1=C(C=C(C=C1)\C=C/C(=O)O)O |
| SPLASH |
splash10-001i-3900000000-4b09a4b7ae478b9a177d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(3,4-dihydroxyphenyl)-2-propenoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000953 |
