Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C15H22BNO4/c1-6-19-13(18)10-7-8-11(12(17)9-10)16-20-14(2,3)15(4,5)21-16/h7-9H,6,17H2,1-5H3
SMILES CCOC(=O)c1ccc(c(c1)N)B1OC(C(O1)(C)C)(C)C
InChI Key FVDWZYDAKIIASA-UHFFFAOYSA-N
Molecular Formula C15H22BNO4
Exact Mass 291.150 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FVDWZYDAKIIASA-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/FVDWZYDAKIIASA-UHFFFAOYSA-N/CHMO0000599
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-09
Related Molecule
  • ethyl 3-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    75537248 PubChem
    ZINC000169978501 ZINC
    The data in this table is sourced from UniChem at EBI.