Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
InChI | InChI=1S/C15H10O2/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15/h1-10H |
---|---|
SMILES | O=c1oc2ccccc2cc1c1ccccc1 |
InChI Key | HWDSXZLYIKESML-UHFFFAOYSA-N |
Molecular Formula | C15H10O2 |
Exact Mass | 222.239 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/HWDSXZLYIKESML-UHFFFAOYSA-N/NMR/1H/CDCl3/250 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/HWDSXZLYIKESML-UHFFFAOYSA-N/NMR/1H/CDCl3/250 |
Version | |
Author | Nicole Jung |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T00:03:29.690501 |
MetadataModified | 2024-09-07T13:31:13.419127 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
14969745 | PubChem: Thomson Pharma |
SCHEMBL177366 | SureChEMBL |
955-10-2 | ACToR |
70385 | PubChem |
J80.041D | Nikkaji |
MCULE-1345261046 | Mcule |
ZINC000000057995 | ZINC |
QECNUJ | CCDC |
DTXSID50241860 | EPA CompTox Dashboard |
WV24YNY4AU | FDA SRS |
96220 | BindingDB |
71460 | Brenda |
CHEMBL510349 | ChEMBL |
730085 | eMolecules |
The data in this table is sourced from UniChem at EBI. |