Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H22O8S/c1-5-23-14-13(21-9(4)18)12(20-8(3)17)11(19-7(2)16)10(6-15)22-14/h10-15H,5-6H2,1-4H3/t10?,11-,12+,13?,14+/m1/s1
SMILES CCS[C@@H]1OC(CO)[C@H]([C@@H](C1OC(=O)C)OC(=O)C)OC(=O)C
InChI Key CVQAJMLGDXBVAC-ISDWTXNASA-N
Molecular Formula C14H22O8S
Exact Mass 350.385 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CVQAJMLGDXBVAC-ISDWTXNASA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/CVQAJMLGDXBVAC-ISDWTXNASA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • [(3R,4S,6S)-4,5-diacetyloxy-6-ethylsulfanyl-2-(hydroxymethyl)oxan-3-yl] acetate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453594 PubChem
    The data in this table is sourced from UniChem at EBI.