Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C11H14O2S2/c1-12-9-4-3-8(7-10(9)13-2)11-14-5-6-15-11/h3-4,7,11H,5-6H2,1-2H3
SMILES COc1cc(ccc1OC)C1SCCS1
InChI Key GCEOBMQOSMEWSN-UHFFFAOYSA-N
Molecular Formula C11H14O2S2
Exact Mass 242.358 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GCEOBMQOSMEWSN-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/GCEOBMQOSMEWSN-UHFFFAOYSA-N/CHMO0000593
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:42:18.359183
MetadataModified 2024-09-07T19:58:40.936980
MetadataPublished 2021-06-16
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID00220201 EPA CompTox Dashboard
MCULE-2019595360 Mcule
J91.150J Nikkaji
69922-36-7 ACToR
SCHEMBL9778828 SureChEMBL
50928 PubChem
The data in this table is sourced from UniChem at EBI.