Dataset
ALLYL FORMATE
Chemical Info
InChI | InChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2 |
---|---|
SMILES | C=CCOC=O |
InChI Key | ZHHZHHSFKCANOC-UHFFFAOYSA-N |
Molecular Formula | C4H6O2 |
Exact Mass | 86.037 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP006459 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T15:56:03.383835 |
MetadataModified | 2024-01-11T15:56:03.538230 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
6196617 | eMolecules |
CHEMBL1697703 | ChEMBL |
61278 | PubChem |
16471802 | PubChem: Thomson Pharma |
1838-59-1 | ACToR |
221812 | Brenda |
20199056 | NMRShiftDB |
SCHEMBL2447 | SureChEMBL |
J1.783C | Nikkaji |
HMDB0248166 | Human Metabolome Database |
MCULE-4161785970 | Mcule |
A9WY6Q0U9C | FDA SRS |
CB8285997 | ChemicalBook |
DTXSID4062016 | EPA CompTox Dashboard |
ZINC000001680373 | ZINC |
The data in this table is sourced from UniChem at EBI. |