Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

Molecular Image
InChI InChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2
SMILES c1ccc2c(-c3ccccc3CC2)c1
InChI Key XXPBFNVKTVJZKF-UHFFFAOYSA-N
Molecular Formula C14H12
Exact Mass 180.245 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XXPBFNVKTVJZKF-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/XXPBFNVKTVJZKF-UHFFFAOYSA-N/CHMO0001150
Version
Author Jean-Marie Lehn
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-05-18T07:22:52Z
Related Molecule
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL2407181 chembl
155991 surechembl
29404495 surechembl
30297028 surechembl
13058 pubchem
FIXVIR CCDC
108622 brenda
BRM9TU2F34 fdasrs
DTXSID20228264 comptox
Molport-001-762-094 molport
The data in this table is sourced from UniChem at EBI.