Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C13H24S2/c1-12(2,3)11-5-7-13(8-6-11)14-9-4-10-15-13/h11H,4-10H2,1-3H3
SMILES CC(C1CCC2(CC1)SCCCS2)(C)C
InChI Key IEGZEWACYOGSRS-UHFFFAOYSA-N
Molecular Formula C13H24S2
Exact Mass 244.460 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IEGZEWACYOGSRS-UHFFFAOYSA-N/NMR/13C/CDCL3/100
License URL
Source https://www.chemotion-repository.net/inchikey/IEGZEWACYOGSRS-UHFFFAOYSA-N/NMR/13C/CDCL3/100
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:55:30.568765
MetadataModified 2024-09-07T12:21:28.440117
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
16059115 PubChem: Thomson Pharma
J362.401C Nikkaji
SCHEMBL17969262 SureChEMBL
10999291 PubChem
The data in this table is sourced from UniChem at EBI.