Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Information
| InChI | InChI=1S/C14H9N/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h1,3-10H |
|---|---|
| SMILES | C#Cn1c2ccccc2c2c1cccc2 |
| InChI Key | NFEBPMFFSGVANX-UHFFFAOYSA-N |
| Exact Mass | 191.228 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/NFEBPMFFSGVANX-UHFFFAOYSA-N/CHMO0001146 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/NFEBPMFFSGVANX-UHFFFAOYSA-N/CHMO0001146 |
| Version | |
| Author | Laura Holzhauer |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2025-03-16 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | 1H–13C heteronuclear single quantum coherence |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 1537773 | surechembl |
| 10965331 | pubchem |
| LAQBEM | CCDC |
| DTXSID20450043 | comptox |
| The data in this table is sourced from UniChem at EBI. | |