Dataset
infrared absorption spectroscopy (IR)
Chemical Info
InChI | InChI=1S/C10H8N2.3CO.ClH.Re/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-2;;/h1-8H;;;;1H;/q;;;;;+1/p-1 |
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SMILES | c1ccc(nc1)c1ccccn1.[C-]#[O+].[C-]#[O+].[C-]#[O+].Cl[Re] |
InChI Key | JBWAZOJPJGMZEF-UHFFFAOYSA-M |
Molecular Formula | C13H8ClN2O3Re |
Exact Mass | 461.874 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/JBWAZOJPJGMZEF-UHFFFAOYSA-M/CHMO0000630 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/JBWAZOJPJGMZEF-UHFFFAOYSA-M/CHMO0000630 |
Version | |
Author | Laura Holzhauer |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:01:19.442548 |
MetadataModified | 2024-09-08T04:01:19.442554 |
MetadataPublished | 2024-07-05 |
Field | Value |
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Measurement Technique | infrared absorption spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
11294165 | PubChem |
155885097 | PubChem |
16381831 | PubChem: Thomson Pharma |
The data in this table is sourced from UniChem at EBI. |