Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H20OS2/c1-8(2)12-9-3-4-10(11(14)7-9)13(12)15-5-6-16-13/h8-10,12H,3-7H2,1-2H3
SMILES CC(C1C2CCC(C31SCCS3)C(=O)C2)C
InChI Key FVNCCYVOXYDKDC-UHFFFAOYSA-N
Molecular Formula C13H20OS2
Exact Mass 256.427 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FVNCCYVOXYDKDC-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/FVNCCYVOXYDKDC-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:27:18.077040
MetadataModified 2024-09-07T15:38:03.422200
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.