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/C10H13ClOS2/c11-9(10-13-4-5-14-10)7-2-1-3-8(12)6-7/h7H,1-6H2
SMILES O=C1CCCC(C1)C(=C1SCCS1)Cl
InChI Key NBLKWHHUXUGJIG-UHFFFAOYSA-N
Molecular Formula C10H13ClOS2
Exact Mass 248.793 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NBLKWHHUXUGJIG-UHFFFAOYSA-N/1HNMR
License URL
Source https://www.chemotion-repository.net/inchikey/NBLKWHHUXUGJIG-UHFFFAOYSA-N/1HNMR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:26:31.539084
MetadataModified 2024-09-07T14:24:56.773730
MetadataPublished 2018-05-16
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
133083276 PubChem
The data in this table is sourced from UniChem at EBI.