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/h2-8H,1H3/b6-2+
SMILES C/C=C/c1ccccc1
InChI Key QROGIFZRVHSFLM-QHHAFSJGSA-N
Molecular Formula C9H10
Exact Mass 118.176 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QROGIFZRVHSFLM-QHHAFSJGSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/QROGIFZRVHSFLM-QHHAFSJGSA-N/CHMO0000593
Version
Author Michael Konstantinos Bogdos
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:00:44.078811
MetadataModified 2024-09-07T23:53:12.748029
MetadataPublished 2022-11-21
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000001692469 ZINC
252325 PubChem
10016573 NMRShiftDB
J2.100H Nikkaji
SCHEMBL2342 SureChEMBL
J54.347K Nikkaji
A5S9N1785O FDA SRS
637-50-3 ACToR
14818155 PubChem: Thomson Pharma
873-66-5 ACToR
109673 Brenda
CB1754700 ChemicalBook
MolPort-001-784-274 MolPort
36213 Brenda
219295 Brenda
CB6754699 ChemicalBook
CHEMBL506013 ChEMBL
478708 eMolecules
The data in this table is sourced from UniChem at EBI.