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/C13H12O2S2/c14-12-9-4-1-2-5-11(9)15-8-10(12)13-16-6-3-7-17-13/h1-2,4-5,8,13H,3,6-7H2
SMILES O=c1c(coc2c1cccc2)C1SCCCS1
InChI Key LYYMYGNCESQRAA-UHFFFAOYSA-N
Molecular Formula C13H12O2S2
Exact Mass 264.363 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LYYMYGNCESQRAA-UHFFFAOYSA-N/NMR/1H/CDCL3/300
License URL
Source https://www.chemotion-repository.net/inchikey/LYYMYGNCESQRAA-UHFFFAOYSA-N/NMR/1H/CDCL3/300
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:55:11.372291
MetadataModified 2024-09-07T12:20:39.102631
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427312 PubChem
SCHEMBL16597331 SureChEMBL
J3.039.062H Nikkaji
The data in this table is sourced from UniChem at EBI.