Dataset
heteronuclear multiple bond coherence (HMBC)
Chemical Info
InChI | InChI=1S/C14H7BrO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H |
---|---|
SMILES | Brc1cccc2c1C(=O)c1ccccc1C2=O |
InChI Key | CXTPIHZYOGDSLV-UHFFFAOYSA-N |
Exact Mass | 287.108 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/CXTPIHZYOGDSLV-UHFFFAOYSA-N/CHMO0000601 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/CXTPIHZYOGDSLV-UHFFFAOYSA-N/CHMO0000601 |
Version | |
Author | Fabian Schönle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:33:57.336892 |
MetadataModified | 2024-09-23T09:26:43.618274 |
MetadataPublished | 2024-08-28 |
Field | Value |
---|---|
Measurement Technique | heteronuclear multiple bond coherence |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
2341964 | eMolecules |
632-83-7 | ACToR |
SCHEMBL472644 | SureChEMBL |
12444 | PubChem |
10018752 | NMRShiftDB |
J33.314J | Nikkaji |
CHEMBL4436985 | ChEMBL |
BRANTO | CCDC |
MCULE-1328244133 | Mcule |
DTXSID10212556 | EPA CompTox Dashboard |
ZINC000003896785 | ZINC |
CB4720209 | ChemicalBook |
The data in this table is sourced from UniChem at EBI. |