Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C10H7BrO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H |
---|---|
SMILES | Oc1cc2ccccc2c(c1)Br |
InChI Key | PQNQMYMGUXGWTG-UHFFFAOYSA-N |
Molecular Formula | C10H7BrO |
Exact Mass | 223.066 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/PQNQMYMGUXGWTG-UHFFFAOYSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/PQNQMYMGUXGWTG-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Helena Šimek Tosino |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:02:47.231003 |
MetadataModified | 2024-09-08T04:02:47.231008 |
MetadataPublished | 2024-07-05 |
Field | Value |
---|---|
Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
12115596 | PubChem |
SCHEMBL1055937 | SureChEMBL |
DTXSID40477818 | EPA CompTox Dashboard |
ZINC000038860882 | ZINC |
CB63039009 | ChemicalBook |
J1.074.214E | Nikkaji |
The data in this table is sourced from UniChem at EBI. |