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/C5H4O2/c6-3-5-1-2-7-4-5/h1-4H
SMILES O=Cc1cocc1
InChI Key AZVSIHIBYRHSLB-UHFFFAOYSA-N
Molecular Formula C5H4O2
Exact Mass 96.084 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AZVSIHIBYRHSLB-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/AZVSIHIBYRHSLB-UHFFFAOYSA-N/CHMO0001146
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:56:09.040692
MetadataModified 2024-09-08T03:56:09.040697
MetadataPublished 2024-06-26
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
MTBLC87609 Metabolights
55501 Brenda
23843 Brenda
CB0740540 ChemicalBook
120728 Brenda
494170 eMolecules
15461794 PubChem: Thomson Pharma
498-60-2 ACToR
POB632X444 FDA SRS
PD157968 ProbesDrugs
87609 ChEBI
50486228 BindingDB
HY-76224 MedChemExpress
J95.449G Nikkaji
DTXSID40198076 EPA CompTox Dashboard
ZINC000002040441 ZINC
CHEMBL2228160 ChEMBL
SCHEMBL133204 SureChEMBL
10351 PubChem
20026153 NMRShiftDB
The data in this table is sourced from UniChem at EBI.