Dataset
1H--1H correlation spectroscopy (1H-1H COSY)
Chemical Information
| InChI | InChI=1S/C15H17NO3/c1-2-18-15(17)14-7-11-5-6-12(8-13(11)16-14)19-9-10-3-4-10/h5-8,10,16H,2-4,9H2,1H3 |
|---|---|
| SMILES | CCOC(=O)c1cc2c([nH]1)cc(cc2)OCC1CC1 |
| InChI Key | XSKANNIFUURLJU-UHFFFAOYSA-N |
| Molecular Formula | C15H17NO3 |
| Exact Mass | 259.300 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/XSKANNIFUURLJU-UHFFFAOYSA-N/CHMO0001150 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/XSKANNIFUURLJU-UHFFFAOYSA-N/CHMO0001150 |
| Version | |
| Author | Niklas Krappel |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2023-07-31 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | 1H–1H correlation spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 168433115 | PubChem |
| The data in this table is sourced from UniChem at EBI. | |