Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
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/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/KEIFWROAQVVDBN-UHFFFAOYSA-N/CHMO0000595
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:04:42.771985
MetadataModified 2024-09-08T04:04:42.771990
MetadataPublished 2024-07-08
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
38142 ChEBI
HMDB0244076 Human Metabolome Database
J53.715B Nikkaji
DTXSID30858713 EPA CompTox Dashboard
502326 eMolecules
CB4363862 ChemicalBook
MCULE-3396777212 Mcule
SCHEMBL160705 SureChEMBL
30095870 NMRShiftDB
ZINC000049771086 ZINC
SCHEMBL20184216 SureChEMBL
16746 Brenda
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.