Dataset
![molecular Image]()
heteronuclear single quantum coherence (HSQC)
Chemical Info
| InChI | InChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2 |
|---|---|
| SMILES | BrCCCBr |
| InChI Key | VEFLKXRACNJHOV-UHFFFAOYSA-N |
| Molecular Formula | C3H6Br2 |
| Exact Mass | 201.888 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/VEFLKXRACNJHOV-UHFFFAOYSA-N/CHMO0000604 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/VEFLKXRACNJHOV-UHFFFAOYSA-N/CHMO0000604 |
| Version | |
| Author | Fabian Schönle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T03:23:43.412638 |
| MetadataModified | 2024-09-08T03:23:43.412644 |
| MetadataPublished | 2024-04-30 |
| Field | Value |
|---|---|
| Measurement Technique | heteronuclear single quantum coherence |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 8001 | PubChem |
| J2.433C | Nikkaji |
| PAPSOO | CCDC |
| MCULE-6500110480 | Mcule |
| 10011072 | NMRShiftDB |
| SCHEMBL2175 | SureChEMBL |
| 109-64-8 | ACToR |
| 16936699 | PubChem: Thomson Pharma |
| 479898 | eMolecules |
| YQR3048IX9 | FDA SRS |
| DTXSID1021902 | EPA CompTox Dashboard |
| ZINC000001691289 | ZINC |
| 135391 | Brenda |
| 3409 | Brenda |
| CB6184427 | ChemicalBook |
| The data in this table is sourced from UniChem at EBI. | |