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/C12H14OS2/c1-9(13)10-4-2-5-11(8-10)12-14-6-3-7-15-12/h2,4-5,8,12H,3,6-7H2,1H3
SMILES CC(=O)c1cccc(c1)C1SCCCS1
InChI Key PRBDSASHNJATKQ-UHFFFAOYSA-N
Molecular Formula C12H14OS2
Exact Mass 238.369 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PRBDSASHNJATKQ-UHFFFAOYSA-N/NMR/1H/CDCl3/300
License URL
Source https://www.chemotion-repository.net/inchikey/PRBDSASHNJATKQ-UHFFFAOYSA-N/NMR/1H/CDCl3/300
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:24:37.336582
MetadataModified 2024-09-07T12:33:14.452747
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427415 PubChem
The data in this table is sourced from UniChem at EBI.