Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C10H10BrNO3/c1-6(13)12-9-4-3-7(11)5-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13) |
---|---|
SMILES | COC(=O)c1cc(Br)ccc1NC(=O)C |
InChI Key | CPARHIBNDSEJGR-UHFFFAOYSA-N |
Molecular Formula | C10H10BrNO3 |
Exact Mass | 272.095 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/CPARHIBNDSEJGR-UHFFFAOYSA-N/Mass |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/CPARHIBNDSEJGR-UHFFFAOYSA-N/Mass |
Version | |
Author | Nicolai Wippert |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T00:41:31.213258 |
MetadataModified | 2024-09-07T14:31:26.815302 |
MetadataPublished | 2018-07-17 |
Field | Value |
---|---|
Measurement Technique | mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
MCULE-6366394097 | Mcule |
736223 | PubChem |
517687 | eMolecules |
138825-96-4 | ACToR |
SCHEMBL5899451 | SureChEMBL |
CB2236230 | ChemicalBook |
ZINC000000156416 | ZINC |
MolPort-000-877-153 | MolPort |
DTXSID30352968 | EPA CompTox Dashboard |
The data in this table is sourced from UniChem at EBI. |