Dataset
correlation spectroscopy (COSY)
Chemical Info
InChI | InChI=1S/C11H8N2/c1-2-9-7-13-11-4-3-8(6-12)5-10(9)11/h2-5,7,13H,1H2 |
---|---|
SMILES | C=Cc1c[nH]c2c1cc(C#N)cc2 |
InChI Key | OHIGKOFNMGVKOJ-UHFFFAOYSA-N |
Molecular Formula | C11H8N2 |
Exact Mass | 168.195 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/OHIGKOFNMGVKOJ-UHFFFAOYSA-N/CHMO0000599 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/OHIGKOFNMGVKOJ-UHFFFAOYSA-N/CHMO0000599 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:58:34.654101 |
MetadataModified | 2024-09-08T01:58:34.654106 |
MetadataPublished | 2023-11-14 |
Field | Value |
---|---|
Measurement Technique | correlation spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
169408878 | PubChem |
The data in this table is sourced from UniChem at EBI. |