Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C7H9ClN2/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,9-10H2,1H3 |
---|---|
SMILES | Cc1cc(N)c(c(c1)Cl)N |
InChI Key | UPFHQANNMQQOJI-UHFFFAOYSA-N |
Molecular Formula | C7H9ClN2 |
Exact Mass | 156.613 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/UPFHQANNMQQOJI-UHFFFAOYSA-N/CHMO0000470 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/UPFHQANNMQQOJI-UHFFFAOYSA-N/CHMO0000470 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:31:06.954452 |
MetadataModified | 2024-09-08T04:31:06.954457 |
MetadataPublished | 2024-08-15 |
Field | Value |
---|---|
Measurement Technique | mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
MolPort-026-973-516 | MolPort |
SCHEMBL5505433 | SureChEMBL |
ZINC000059684263 | ZINC |
23131917 | PubChem |
31262487 | eMolecules |
The data in this table is sourced from UniChem at EBI. |