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/C11H16OS2/c1-8(11-13-5-6-14-11)9-3-2-4-10(12)7-9/h9H,2-7H2,1H3
SMILES O=C1CCCC(C1)C(=C1SCCS1)C
InChI Key ZCSYABZYYYQJDH-UHFFFAOYSA-N
Molecular Formula C11H16OS2
Exact Mass 228.374 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZCSYABZYYYQJDH-UHFFFAOYSA-N/1HNMR
License URL
Source https://www.chemotion-repository.net/inchikey/ZCSYABZYYYQJDH-UHFFFAOYSA-N/1HNMR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:21:14.182745
MetadataModified 2024-09-07T14:15:40.054740
MetadataPublished 2018-04-20
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
132993217 PubChem
The data in this table is sourced from UniChem at EBI.