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/C15H16OS2/c16-13-7-6-12(10-13)14(15-17-8-9-18-15)11-4-2-1-3-5-11/h1-5,12H,6-10H2
SMILES O=C1CCC(C1)C(=C1SCCS1)c1ccccc1
InChI Key LOEMJXFENGAIRJ-UHFFFAOYSA-N
Molecular Formula C15H16OS2
Exact Mass 276.417 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LOEMJXFENGAIRJ-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/LOEMJXFENGAIRJ-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:19:36.804660
MetadataModified 2024-09-07T21:58:28.948603
MetadataPublished 2022-03-11
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
162640624 PubChem
The data in this table is sourced from UniChem at EBI.