Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Info
InChI | InChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11) |
---|---|
SMILES | O=c1cnc2c([nH]1)cccc2 |
InChI Key | FFRYUAVNPBUEIC-UHFFFAOYSA-N |
Molecular Formula | C8H6N2O |
Exact Mass | 146.146 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/FFRYUAVNPBUEIC-UHFFFAOYSA-N/CHMO0000596 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/FFRYUAVNPBUEIC-UHFFFAOYSA-N/CHMO0000596 |
Version | |
Author | Laura Holzhauer |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T03:51:31.744950 |
MetadataModified | 2024-09-07T18:53:03.826903 |
MetadataPublished | 2020-10-02 |
Field | Value |
---|---|
Measurement Technique | distortionless enhancement with polarization transfer |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
1972459 | eMolecules |
26721587 | PubChem: Thomson Pharma |
SCHEMBL37862 | SureChEMBL |
15170845 | PubChem: Thomson Pharma |
38890 | ChEBI |
492810 | eMolecules |
14526 | PubChem |
20050525 | NMRShiftDB |
MCULE-4185757989 | Mcule |
MTBLC38890 | Metabolights |
43192 | Brenda |
135345 | Brenda |
CB1135747 | ChemicalBook |
HQOXAL | CCDC |
HMDB0245168 | Human Metabolome Database |
DTXSID6061604 | EPA CompTox Dashboard |
ZINC000008614494 | ZINC |
J54.923A | Nikkaji |
The data in this table is sourced from UniChem at EBI. |