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/C11H12O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h1,5-8H,4,9H2,2H3
SMILES C#CCCOS(=O)(=O)c1ccc(cc1)C
InChI Key STOASOOVVADOKH-UHFFFAOYSA-N
Molecular Formula C11H12O3S
Exact Mass 224.276 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/STOASOOVVADOKH-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/STOASOOVVADOKH-UHFFFAOYSA-N/CHMO0001146
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:06:29.068073
MetadataModified 2024-09-07T21:47:12.470773
MetadataPublished 2022-02-11
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID30297461 EPA CompTox Dashboard
J929.364G Nikkaji
CB7105472 ChemicalBook
HY-79584 MedChemExpress
ZINC000001705574 ZINC
516599 eMolecules
SCHEMBL312901 SureChEMBL
15900432 PubChem: Thomson Pharma
23418-85-1 ACToR
MCULE-8262453920 Mcule
272020 PubChem
The data in this table is sourced from UniChem at EBI.