Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C16H12N2/c1-2-14(16-7-11-18-12-8-16)4-3-13(1)15-5-9-17-10-6-15/h1-12H |
---|---|
SMILES | n1ccc(cc1)c1ccc(cc1)c1ccncc1 |
InChI Key | MAWKLXRVKVOYLR-UHFFFAOYSA-N |
Molecular Formula | C16H12N2 |
Exact Mass | 232.280 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/MAWKLXRVKVOYLR-UHFFFAOYSA-N/Mass/EI |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/MAWKLXRVKVOYLR-UHFFFAOYSA-N/Mass/EI |
Version | |
Author | Sylvain Grosjean |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:35:21.377661 |
MetadataModified | 2024-09-07T11:55:28.883949 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
5250442 | PubChem |
SCHEMBL135626 | SureChEMBL |
16411938 | PubChem: Thomson Pharma |
36725210 | eMolecules |
CB32652594 | ChemicalBook |
DTXSID90413261 | EPA CompTox Dashboard |
ZINC000033801680 | ZINC |
OXUHUM | CCDC |
J484.662A | Nikkaji |
The data in this table is sourced from UniChem at EBI. |