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/C16H20OS2/c1-2-14(17)9-10-15(13-7-4-3-5-8-13)16-18-11-6-12-19-16/h3-5,7-8H,2,6,9-12H2,1H3
SMILES CCC(=O)CCC(=C1SCCCS1)c1ccccc1
InChI Key YMTMOMPRUVRPTP-UHFFFAOYSA-N
Molecular Formula C16H20OS2
Exact Mass 292.459 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YMTMOMPRUVRPTP-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
License URL
Source https://www.chemotion-repository.net/inchikey/YMTMOMPRUVRPTP-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:34:54.652046
MetadataModified 2024-09-07T14:08:54.766588
MetadataPublished 2015-10-30
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
133083258 PubChem
The data in this table is sourced from UniChem at EBI.