Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H10/c1-3-9-5-7-10(4-2)8-6-9/h3-8H,1-2H2
SMILES C=Cc1ccc(cc1)C=C
InChI Key WEERVPDNCOGWJF-UHFFFAOYSA-N
Molecular Formula C10H10
Exact Mass 130.186 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WEERVPDNCOGWJF-UHFFFAOYSA-N/NMR/1H/CDCl3/300
License URL
Source https://www.chemotion-repository.net/inchikey/WEERVPDNCOGWJF-UHFFFAOYSA-N/NMR/1H/CDCl3/300
Version
Author Mathias Lang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:28:15.137386
MetadataModified 2024-09-07T12:38:46.551101
MetadataPublished 2014-05-27
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
15146617 PubChem: Thomson Pharma
QN8RGZ4ML2 FDA SRS
66041 PubChem
105-06-6 ACToR
SCHEMBL7639 SureChEMBL
10016582 NMRShiftDB
CHEMBL1520722 ChEMBL
ZINC000002015938 ZINC
DTXSID2033863 EPA CompTox Dashboard
MCULE-2495293227 Mcule
CB2504638 ChemicalBook
HEGQEP CCDC
HMDB0256036 Human Metabolome Database
J91.290E Nikkaji
518429 eMolecules
The data in this table is sourced from UniChem at EBI.