Dataset
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Chemical Info
InChI | InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3 |
---|---|
SMILES | COC(=O)C#C |
InChI Key | IMAKHNTVDGLIRY-UHFFFAOYSA-N |
Exact Mass | 84.073 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/IMAKHNTVDGLIRY-UHFFFAOYSA-N/CHMO0001148 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/IMAKHNTVDGLIRY-UHFFFAOYSA-N/CHMO0001148 |
Version | |
Author | Jana Barylko |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:15:09.073446 |
MetadataModified | 2024-09-23T09:25:35.673034 |
MetadataPublished | 2024-07-17 |
Field | Value |
---|---|
Measurement Technique | 1H–13C heteronuclear multiple bond coherence |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
10015903 | NMRShiftDB |
13536 | PubChem |
SCHEMBL534 | SureChEMBL |
CHEMBL4086262 | ChEMBL |
CB3155439 | ChemicalBook |
T88NXO102K | FDA SRS |
MCULE-5108326717 | Mcule |
J87.385C | Nikkaji |
ZINC000001564788 | ZINC |
DTXSID60238923 | EPA CompTox Dashboard |
14769234 | PubChem: Thomson Pharma |
922-67-8 | ACToR |
484374 | eMolecules |
The data in this table is sourced from UniChem at EBI. |