Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C11H7BrO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)
SMILES Brc1ccc2c(c1)ccc(c2)C(=O)O
InChI Key NPMCAVBMOTZUPD-UHFFFAOYSA-N
Molecular Formula C11H7BrO2
Exact Mass 251.076 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NPMCAVBMOTZUPD-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/NPMCAVBMOTZUPD-UHFFFAOYSA-N/CHMO0000596
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-08
Related Molecule
  • 6-bromonaphthalene-2-carboxylic acid
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4549852 PubChem
    MCULE-3526696401 Mcule
    SCHEMBL203205 SureChEMBL
    890787 eMolecules
    16886469 PubChem: Thomson Pharma
    5773-80-8 ACToR
    DTXSID90404154 EPA CompTox Dashboard
    J2.176.056K Nikkaji
    ZINC000000156438 ZINC
    CB2467951 ChemicalBook
    The data in this table is sourced from UniChem at EBI.