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/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
SMILES COC(=O)c1cccc(c1)C(=O)OC
InChI Key VNGOYPQMJFJDLV-UHFFFAOYSA-N
Molecular Formula C10H10O4
Exact Mass 194.184 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VNGOYPQMJFJDLV-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/VNGOYPQMJFJDLV-UHFFFAOYSA-N/CHMO0001146
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:04:58.411755
MetadataModified 2024-09-08T04:04:58.411762
MetadataPublished 2024-07-08
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
487023 eMolecules
14867722 PubChem: Thomson Pharma
259522 Brenda
2UY9Y3574K FDA SRS
SCHEMBL34953 SureChEMBL
1459-93-4 ACToR
MCULE-3230324954 Mcule
10008637 NMRShiftDB
15088 PubChem
GOHRUS CCDC
J7.498E Nikkaji
ZINC000000061511 ZINC
DTXSID8027402 EPA CompTox Dashboard
151192 Brenda
CB7265116 ChemicalBook
CHEMBL2010300 ChEMBL
The data in this table is sourced from UniChem at EBI.