Dataset
infrared absorption spectroscopy (IR)
Chemical Info
InChI | InChI=1S/C12H12Br6/c13-1-7-8(2-14)10(4-16)12(6-18)11(5-17)9(7)3-15/h1-6H2 |
---|---|
SMILES | BrCc1c(CBr)c(CBr)c(c(c1CBr)CBr)CBr |
InChI Key | XJOUCILNLRXRTF-UHFFFAOYSA-N |
Molecular Formula | C12H12Br6 |
Exact Mass | 635.648 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/XJOUCILNLRXRTF-UHFFFAOYSA-N/IR |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/XJOUCILNLRXRTF-UHFFFAOYSA-N/IR |
Version | |
Author | Isabelle Wessely |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T23:57:26.806678 |
MetadataModified | 2024-09-07T13:22:17.745085 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | infrared absorption spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
HBMEBZ | CCDC |
CB8492250 | ChemicalBook |
J217.268B | Nikkaji |
503673 | eMolecules |
3095-73-6 | ACToR |
SCHEMBL36987 | SureChEMBL |
16200234 | PubChem: Thomson Pharma |
76540 | PubChem |
ZINC000095100328 | ZINC |
DTXSID70184927 | EPA CompTox Dashboard |
MCULE-9917707545 | Mcule |
The data in this table is sourced from UniChem at EBI. |