Dataset
trans-3-Phenylacrylic acid, trans-Cinnamic acid, trans-beta-Carboxystyrene, (E)-3-phenylprop-2-enoic acid, 3-Phenylpropenoic Acid, Zimtsaeure, trans-3-Benzenepropenoic Acid
Chemical Info
InChI | InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11) |
---|---|
SMILES | C1=CC=C(C=C1)C=CC(=O)O |
InChI Key | WBYWAXJHAXSJNI-UHFFFAOYSA-N |
Molecular Formula | C9H8O2 |
Exact Mass | 148.161 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT201050 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T21:08:13.998656 |
MetadataModified | 2024-01-11T21:08:14.156024 |
MetadataPublished | 2008-07-28 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
MTBLC27386 | Metabolights |
DTXSID40110056 | EPA CompTox Dashboard |
CINMAC | CCDC |
8784 | PubChem |
MCULE-4051659199 | Mcule |
10006448 | NMRShiftDB |
PD013623 | ProbesDrugs |
9045-22-1 | ACToR |
104521-37-1 | ACToR |
101921-26-0 | ACToR |
27386 | ChEBI |
The data in this table is sourced from UniChem at EBI. |