Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\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/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/SYSSVMYYSHYMAQ-UHFFFAOYSA-N/CHMO0001146
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:44:33.110699
MetadataModified 2024-09-07T22:18:37.700485
MetadataPublished 2022-05-16
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
16049005 PubChem: Thomson Pharma
318597 PubChem
35193-70-5 ACToR
79547-82-3 ACToR
188865 ChEBI
SCHEMBL6563131 SureChEMBL
J750.539F Nikkaji
ZINC000001557545 ZINC
50316626 BindingDB
J2.215.848A Nikkaji
J3.345.403A Nikkaji
CB7326534 ChemicalBook
CHEMBL1094828 ChEMBL
1121802 eMolecules
The data in this table is sourced from UniChem at EBI.