Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7H,4,8H2 |
---|---|
SMILES | C1=Cc2c(CC1)cccc2 |
InChI Key | KEIFWROAQVVDBN-UHFFFAOYSA-N |
Molecular Formula | C10H10 |
Exact Mass | 130.186 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/KEIFWROAQVVDBN-UHFFFAOYSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/KEIFWROAQVVDBN-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Grace Hunt |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:04:46.677509 |
MetadataModified | 2024-09-08T04:04:46.677515 |
MetadataPublished | 2024-07-08 |
Field | Value |
---|---|
Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
38142 | ChEBI |
SCHEMBL20184216 | SureChEMBL |
CB4363862 | ChemicalBook |
502326 | eMolecules |
ZINC000049771086 | ZINC |
16746 | Brenda |
DTXSID30858713 | EPA CompTox Dashboard |
HMDB0244076 | Human Metabolome Database |
30095870 | NMRShiftDB |
SCHEMBL160705 | SureChEMBL |
J53.715B | Nikkaji |
MCULE-3396777212 | Mcule |
14842919 | PubChem: Thomson Pharma |
9938 | PubChem |
447-53-0 | ACToR |
29828-28-2 | ACToR |
The data in this table is sourced from UniChem at EBI. |