Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C18H26O2S2/c1-14(2)17(12-15(3)19)21-10-7-11-22-18(20)13-16-8-5-4-6-9-16/h4-6,8-9,14,17H,7,10-13H2,1-3H3
SMILES CC(C(CC(=O)C)SCCCSC(=O)Cc1ccccc1)C
InChI Key HAPMDIPOMSAKCB-UHFFFAOYSA-N
Molecular Formula C18H26O2S2
Exact Mass 338.528 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HAPMDIPOMSAKCB-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/HAPMDIPOMSAKCB-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:29:42.932230
MetadataModified 2024-09-07T15:41:38.087096
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
138453721 PubChem
The data in this table is sourced from UniChem at EBI.