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
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
6218418 eMolecules
14793725 PubChem: Thomson Pharma
766-90-5 ACToR
174893 Brenda
DTXSID50880652 EPA CompTox Dashboard
CB2668325 ChemicalBook
ZINC000067803068 ZINC
219294 Brenda
32606 Brenda
J181.296C Nikkaji
252324 PubChem
8NJI11T1B3 FDA SRS
SCHEMBL335864 SureChEMBL
The data in this table is sourced from UniChem at EBI.