Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H21BO4S/c1-7-17-12(16)11-8-10(9(2)20-11)15-18-13(3,4)14(5,6)19-15/h8H,7H2,1-6H3
SMILES CCOC(=O)c1cc(c(s1)C)B1OC(C(O1)(C)C)(C)C
InChI Key HPHPLVDTSMAOKA-UHFFFAOYSA-N
Molecular Formula C14H21BO4S
Exact Mass 296.190 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HPHPLVDTSMAOKA-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/HPHPLVDTSMAOKA-UHFFFAOYSA-N/CHMO0000630
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-06
Related Molecule
  • ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453618 pubchem
    The data in this table is sourced from UniChem at EBI.