Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C44H36N2O4P.BrH/c1-30-42(29-51(35-13-7-4-8-14-35,36-15-9-5-10-16-36)37-17-11-6-12-18-37)46-41-28-39(32-21-25-34(26-22-32)44(48)50-3)38(27-40(41)45-30)31-19-23-33(24-20-31)43(47)49-2;/h4-28H,29H2,1-3H3;1H/q+1;/p-1
SMILES COC(=O)c1ccc(cc1)c1cc2nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(nc2cc1c1ccc(cc1)C(=O)OC)C.[Br-]
InChI Key NIQVJDCFQXEZFB-UHFFFAOYSA-M
Molecular Formula C44H36BrN2O4P
Exact Mass 767.645 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NIQVJDCFQXEZFB-UHFFFAOYSA-M/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/NIQVJDCFQXEZFB-UHFFFAOYSA-M/CHMO0000596.1
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-04-17
Related Molecule
  • [6,7-bis(4-methoxycarbonylphenyl)-3-methylquinoxalin-2-yl]methyl-triphenylphosphanium;bromide
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163197177 PubChem
    The data in this table is sourced from UniChem at EBI.