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/C13H14O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-3,6-10H,4-5H2,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)C1=CCC=CC1
InChI Key DOJJDMPMMVYUIN-UHFFFAOYSA-N
Molecular Formula C13H14O2S
Exact Mass 234.314 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DOJJDMPMMVYUIN-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/DOJJDMPMMVYUIN-UHFFFAOYSA-N/CHMO0001146
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:37:26.420369
MetadataModified 2024-09-08T01:37:26.420375
MetadataPublished 2023-09-19
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
26743219 PubChem: Thomson Pharma
16754963 PubChem
SCHEMBL16370885 SureChEMBL
J3.441.308H Nikkaji
The data in this table is sourced from UniChem at EBI.