Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H11NO/c1-14-11-7-5-10(6-8-11)12-4-2-3-9-13-12/h2-9H,1H3
SMILES COc1ccc(cc1)c1ccccn1
InChI Key QUMXRZNAUFKBAS-UHFFFAOYSA-N
Molecular Formula C12H11NO
Exact Mass 185.222 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QUMXRZNAUFKBAS-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/QUMXRZNAUFKBAS-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:14:25.989623
MetadataModified 2024-09-08T02:14:25.989628
MetadataPublished 2024-01-19
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL913393 SureChEMBL
CHEMBL2220852 ChEMBL
813530 eMolecules
16325075 PubChem: Thomson Pharma
ZINC000000399937 ZINC
CB3485804 ChemicalBook
J796.113H Nikkaji
MCULE-2328553499 Mcule
220239 PubChem
The data in this table is sourced from UniChem at EBI.