Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C13H10O2/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-9H,(H,14,15)/b8-6+
SMILES OC(=O)/C=C/c1ccc2c(c1)cccc2
InChI Key KWGPBDBAAXYWOJ-SOFGYWHQSA-N
Molecular Formula C13H10O2
Exact Mass 198.217 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KWGPBDBAAXYWOJ-SOFGYWHQSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/KWGPBDBAAXYWOJ-SOFGYWHQSA-N/CHMO0000595
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:10:30.015339
MetadataModified 2025-01-29T16:03:56.074246
MetadataPublished 2024-10-15
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
735835 PubChem
SCHEMBL78426 SureChEMBL
125296142 PubChem: Thomson Pharma
637086 eMolecules
ZINC000000153595 ZINC
J2.186.027A Nikkaji
J852.898E Nikkaji
CHEMBL1891545 ChEMBL
The data in this table is sourced from UniChem at EBI.