Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C9H10BrNO2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2,11H2,1H3 |
---|---|
SMILES | CCOC(=O)c1ccc(c(c1)N)Br |
InChI Key | PPVXNRMIVXWQKP-UHFFFAOYSA-N |
Molecular Formula | C9H10BrNO2 |
Exact Mass | 244.085 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/PPVXNRMIVXWQKP-UHFFFAOYSA-N/CHMO0000470 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/PPVXNRMIVXWQKP-UHFFFAOYSA-N/CHMO0000470 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:34:30.059559 |
MetadataModified | 2024-09-08T04:34:30.059564 |
MetadataPublished | 2024-08-30 |
Field | Value |
---|---|
Measurement Technique | mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
SCHEMBL9119581 | SureChEMBL |
19919763 | PubChem |
ZINC000041086415 | ZINC |
MolPort-012-782-693 | MolPort |
The data in this table is sourced from UniChem at EBI. |