Dataset
![Molecular Image]()
1H--1H correlation spectroscopy (1H-1H COSY)
Chemical Information
| InChI | InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10+;/m0./s1 |
|---|---|
| SMILES | CN[C@H]([C@H](c1ccccc1)O)C.Cl |
| InChI Key | BALXUFOVQVENIU-KXNXZCPBSA-N |
| Exact Mass | 201.693 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/BALXUFOVQVENIU-KXNXZCPBSA-N/CHMO0001150 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/BALXUFOVQVENIU-KXNXZCPBSA-N/CHMO0001150 |
| Version | |
| Author | Jean-Marie Lehn |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2026-05-18T07:23:26Z |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | 1H–1H correlation spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEBI:8604 | chebi |
| CHEMBL1200724 | chembl |
| 1649756 | surechembl |
| 33285 | surechembl |
| 11041807 | pubchem |
| 25137849 | pubchem |
| 9581 | pubchem |
| 6V9V2RYJ8N | fdasrs |
| PD001775 | probes_and_drugs |
| DTXSID10889343 | comptox |
| NCT00000752 | clinicaltrials |
| NCT00240812 | clinicaltrials |
| NCT00441246 | clinicaltrials |
| NCT00648973 | clinicaltrials |
| NCT01131728 | clinicaltrials |
| NCT01131767 | clinicaltrials |
| NCT01131780 | clinicaltrials |
| NCT01132222 | clinicaltrials |
| NCT01133470 | clinicaltrials |
| NCT01133483 | clinicaltrials |
| NCT01170637 | clinicaltrials |
| NCT01373138 | clinicaltrials |
| NCT01506791 | clinicaltrials |
| NCT01744106 | clinicaltrials |
| NCT02963701 | clinicaltrials |
| NCT03706300 | clinicaltrials |
| The data in this table is sourced from UniChem at EBI. | |