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/C9H6O2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H,(H,10,11)
SMILES C#Cc1ccc(cc1)C(=O)O
InChI Key SJXHLZCPDZPBPW-UHFFFAOYSA-N
Molecular Formula C9H6O2
Exact Mass 146.143 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SJXHLZCPDZPBPW-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/SJXHLZCPDZPBPW-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:51:48.387656
MetadataModified 2024-09-07T21:28:05.442836
MetadataPublished 2022-02-11
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
31600616 eMolecules
SCHEMBL40299 SureChEMBL
16178335 PubChem: Thomson Pharma
589706 PubChem
J514.157E Nikkaji
ZINC000000379054 ZINC
CB3430662 ChemicalBook
DTXSID90343433 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.