Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C23H19BrO5/c1-11-7-16-20(27)13-5-3-4-6-14(13)21(28)23(16,10-12(11)2)22(29)15-8-18(25)19(26)9-17(15)24/h3-6,8-9,16,25-26H,7,10H2,1-2H3/t16-,23+/m0/s1
SMILES CC1=C(C)C[C@]2([C@@H](C1)C(=O)c1ccccc1C2=O)C(=O)c1cc(O)c(cc1Br)O
InChI Key GNLDMLVTJDNLDD-QMHKHESXSA-N
Molecular Formula C23H19BrO5
Exact Mass 455.298 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GNLDMLVTJDNLDD-QMHKHESXSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/GNLDMLVTJDNLDD-QMHKHESXSA-N/CHMO0000593
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • (4aR,9aR)-9a-(2-bromo-4,5-dihydroxybenzoyl)-2,3-dimethyl-4,4a-dihydro-1H-anthracene-9,10-dione
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146035852 PubChem
    The data in this table is sourced from UniChem at EBI.