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/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3
SMILES CC(=O)c1ccc(cc1)c1ccccc1
InChI Key QCZZSANNLWPGEA-UHFFFAOYSA-N
Molecular Formula C14H12O
Exact Mass 196.244 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QCZZSANNLWPGEA-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/QCZZSANNLWPGEA-UHFFFAOYSA-N/CHMO0000593
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:43:10.411716
MetadataModified 2024-09-07T18:42:22.027470
MetadataPublished 2020-08-26
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1522504 ChEMBL
ZINC000001504550 ZINC
J39.596J Nikkaji
DTXSID6052619 EPA CompTox Dashboard
221658 Brenda
15322370 PubChem: Thomson Pharma
92-91-1 ACToR
474659 eMolecules
MCULE-1215936696 Mcule
7113 PubChem
SCHEMBL51207 SureChEMBL
218278 Brenda
CB9854664 ChemicalBook
212872 Brenda
The data in this table is sourced from UniChem at EBI.