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-KXFIGUGUSA-N
Molecular Formula C9H10
Exact Mass 118.176 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QROGIFZRVHSFLM-KXFIGUGUSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/QROGIFZRVHSFLM-KXFIGUGUSA-N/CHMO0000593
Version
Author Michael Konstantinos Bogdos
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:00:46.682837
MetadataModified 2024-09-07T23:53:16.339647
MetadataPublished 2022-11-21
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL335864 SureChEMBL
252324 PubChem
8NJI11T1B3 FDA SRS
J181.296C Nikkaji
CB2668325 ChemicalBook
MolPort-000-158-379 MolPort
174893 Brenda
32606 Brenda
219294 Brenda
DTXSID50880652 EPA CompTox Dashboard
ZINC000067803068 ZINC
766-90-5 ACToR
6218418 eMolecules
14793725 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.