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/C21H16O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-13,22H,1H3
SMILES COc1ccc2c(c1c1c(O)ccc3c1cccc3)cccc2
InChI Key SYSSVMYYSHYMAQ-UHFFFAOYSA-N
Molecular Formula C21H16O2
Exact Mass 300.351 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SYSSVMYYSHYMAQ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/SYSSVMYYSHYMAQ-UHFFFAOYSA-N/CHMO0000593
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:44:46.206553
MetadataModified 2024-09-07T22:18:46.697441
MetadataPublished 2022-05-16
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
16049005 PubChem: Thomson Pharma
318597 PubChem
35193-70-5 ACToR
79547-82-3 ACToR
188865 ChEBI
1121802 eMolecules
SCHEMBL6563131 SureChEMBL
CHEMBL1094828 ChEMBL
CB7326534 ChemicalBook
J3.345.403A Nikkaji
J750.539F Nikkaji
50316626 BindingDB
ZINC000001557545 ZINC
J2.215.848A Nikkaji
The data in this table is sourced from UniChem at EBI.