Dataset
1H--1H correlation spectroscopy (1H-1H COSY)
Chemical Info
InChI | InChI=1S/C13H8O3/c14-13-9-5-1-2-6-10(9)15-11-7-3-4-8-12(11)16-13/h1-8H |
---|---|
SMILES | O=C1Oc2ccccc2Oc2c1cccc2 |
InChI Key | YCJBWNIROIXYPD-UHFFFAOYSA-N |
Molecular Formula | C13H8O3 |
Exact Mass | 212.201 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/YCJBWNIROIXYPD-UHFFFAOYSA-N/NMR/HHCOSY/CDCl3 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/YCJBWNIROIXYPD-UHFFFAOYSA-N/NMR/HHCOSY/CDCl3 |
Version | |
Author | Nicole Jung |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T23:48:38.730897 |
MetadataModified | 2024-09-07T13:09:07.222237 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | 1H–1H correlation spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
DTXSID50189334 | EPA CompTox Dashboard |
J105.157A | Nikkaji |
SCHEMBL2113335 | SureChEMBL |
MTBLC75940 | Metabolights |
ZINC000002020198 | ZINC |
3580-77-6 | ACToR |
80007419 | NMRShiftDB |
65123 | PubChem |
75940 | ChEBI |
The data in this table is sourced from UniChem at EBI. |