Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

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

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VWZGXEMKFJLYLX-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/VWZGXEMKFJLYLX-UHFFFAOYSA-N/IR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:22:57.926883
MetadataModified 2024-09-07T14:18:38.927512
MetadataPublished 2018-04-28
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
133053738 PubChem
The data in this table is sourced from UniChem at EBI.