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/C15H18OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3
SMILES CC(C(=C1SCCS1)c1ccccc1)CC(=O)C
InChI Key RCALJRZMLQRHLX-UHFFFAOYSA-N
Molecular Formula C15H18OS2
Exact Mass 278.433 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RCALJRZMLQRHLX-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/RCALJRZMLQRHLX-UHFFFAOYSA-N/CHMO0000593
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:19:13.776911
MetadataModified 2024-09-07T21:58:14.650959
MetadataPublished 2022-03-11
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
133053728 PubChem
The data in this table is sourced from UniChem at EBI.