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/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
SMILES C=CCc1ccccc1
InChI Key HJWLCRVIBGQPNF-UHFFFAOYSA-N
Molecular Formula C9H10
Exact Mass 118.176 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HJWLCRVIBGQPNF-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/HJWLCRVIBGQPNF-UHFFFAOYSA-N/CHMO0000593
Version
Author Michael Konstantinos Bogdos
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:00:51.859018
MetadataModified 2024-09-07T23:53:23.385806
MetadataPublished 2022-11-21
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
9309 PubChem
15016537 PubChem: Thomson Pharma
300-57-2 ACToR
128961-80-8 ACToR
DTXSID00861855 EPA CompTox Dashboard
32143 Brenda
43360 Brenda
CB8853453 ChemicalBook
10016572 NMRShiftDB
476234 eMolecules
224799 Brenda
225200 Brenda
GUNLIK CCDC
SCHEMBL21274 SureChEMBL
J24.323J Nikkaji
ZINC000001561526 ZINC
CHEMBL501879 ChEMBL
The data in this table is sourced from UniChem at EBI.