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/C15H16S2/c1-15(16-9-4-10-17-15)14-8-7-12-5-2-3-6-13(12)11-14/h2-3,5-8,11H,4,9-10H2,1H3
SMILES CC1(SCCCS1)c1ccc2c(c1)cccc2
InChI Key YBWHVXDRVWGCNO-UHFFFAOYSA-N
Molecular Formula C15H16S2
Exact Mass 260.418 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YBWHVXDRVWGCNO-UHFFFAOYSA-N/NMR/1H/CDCL3/400
License URL
Source https://www.chemotion-repository.net/inchikey/YBWHVXDRVWGCNO-UHFFFAOYSA-N/NMR/1H/CDCL3/400
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:56:34.391244
MetadataModified 2024-09-07T12:24:10.889245
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
598856 PubChem
DTXSID00344693 EPA CompTox Dashboard
J1.389.800F Nikkaji
The data in this table is sourced from UniChem at EBI.