| SpectraBase Spectrum ID |
2djfa27yXON |
| Name |
trans-2-Hydroxycinnamic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
583-17-5; 614-60-8 |
| ChEBI ID |
18125 |
| Comments |
100 mM trans-2-Hydroxycinnamic acid - Sigma-Aldrich
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C9 H8 O3 |
| IUPAC Name |
(E)-3-(2-hydroxyphenyl)prop-2-enoic acid; (E)-3-(2-hydroxyphenyl)acrylic acid |
| InChI |
InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ |
| InChIKey |
PMOWTIHVNWZYFI-AATRIKPKSA-N |
| KEGG Compound ID |
C01772 |
| PubChem Compound ID |
637540 |
| SMILES |
C1=CC=C(C(=C1)C=CC(=O)O)O; C1=CC=C(C(=C1)\C=C\C(=O)O)O |
| Source File Reference |
bmse000347 |
