Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C4H7BrO2/c1-7-4(6)2-3-5/h2-3H2,1H3 |
---|---|
SMILES | COC(=O)CCBr |
InChI Key | KQEVIFKPZOGBMZ-UHFFFAOYSA-N |
Exact Mass | 167.001 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/KQEVIFKPZOGBMZ-UHFFFAOYSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/KQEVIFKPZOGBMZ-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Jana Alpin |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T03:03:52.403934 |
MetadataModified | 2024-09-23T09:22:10.228135 |
MetadataPublished | 2024-02-20 |
Field | Value |
---|---|
Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
SCHEMBL28699 | SureChEMBL |
20072296 | NMRShiftDB |
CB9362390 | ChemicalBook |
76934 | PubChem |
486177 | eMolecules |
Y803CH1P4W | FDA SRS |
16947035 | PubChem: Thomson Pharma |
3395-91-3 | ACToR |
J205.497C | Nikkaji |
MCULE-3565567444 | Mcule |
ZINC000001666985 | ZINC |
DTXSID6063010 | EPA CompTox Dashboard |
The data in this table is sourced from UniChem at EBI. |