Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C14H19BrO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1
SMILES CC(=O)OC[C@H]1O[C@H](Br)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
InChI Key CYAYKKUWALRRPA-RGDJUOJXSA-N
Molecular Formula C14H19BrO9
Exact Mass 411.199 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CYAYKKUWALRRPA-RGDJUOJXSA-N/NMR/HHCOSY/CDCl3.1
License URL
Source https://www.chemotion-repository.net/inchikey/CYAYKKUWALRRPA-RGDJUOJXSA-N/NMR/HHCOSY/CDCl3.1
Version
Author Marco Mende
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB6142436 ChemicalBook
    CB9142437 ChemicalBook
    ZINC000004262104 ZINC
    474404 eMolecules
    15301750 PubChem: Thomson Pharma
    572-09-8 ACToR
    16282536 PubChem: Thomson Pharma
    58915-19-8 ACToR
    J6.538B Nikkaji
    101776 PubChem
    ETH4010665 FDA SRS
    SCHEMBL989356 SureChEMBL
    TAGPBR CCDC
    The data in this table is sourced from UniChem at EBI.