Dataset
infrared absorption spectroscopy (IR)
Chemical Info
InChI | InChI=1S/C8H7BrO3/c1-4(10)7-6(11)3-2-5(9)8(7)12/h2-3,11-12H,1H3 |
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SMILES | CC(=O)c1c(O)ccc(c1O)Br |
InChI Key | MZSDKOBKEFEBJF-UHFFFAOYSA-N |
Molecular Formula | C8H7BrO3 |
Exact Mass | 231.043 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/MZSDKOBKEFEBJF-UHFFFAOYSA-N/CHMO0000630 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/MZSDKOBKEFEBJF-UHFFFAOYSA-N/CHMO0000630 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:35:44.763623 |
MetadataModified | 2024-09-08T04:35:44.763628 |
MetadataPublished | 2024-08-30 |
Field | Value |
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Measurement Technique | infrared absorption spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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SCHEMBL9753563 | SureChEMBL |
5314954 | PubChem |
The data in this table is sourced from UniChem at EBI. |