Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C34H24BrNO2/c35-33-30-21-11-9-14-26(30)23-24-32(33)38-34-28(18-13-25-36-34)17-6-3-1-2-5-15-27-16-10-12-22-31(27)37-29-19-7-4-8-20-29/h4,7-14,16,18-25H,1-3H2
SMILES Brc1c(ccc2c1cccc2)Oc1ncccc1C#CCCCC#Cc1ccccc1Oc1ccccc1
InChI Key OCXZXRQVBSFEOZ-UHFFFAOYSA-N
Molecular Formula C34H24BrNO2
Exact Mass 558.464 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OCXZXRQVBSFEOZ-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/OCXZXRQVBSFEOZ-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-12-05
Related Molecule
  • 2-(1-bromonaphthalen-2-yl)oxy-3-[7-(2-phenoxyphenyl)hepta-1,6-diynyl]pyridine
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    title : SG-V4317 HPLC

    date : 20240919

    starting time : 21.17 h

    label : SG-3840

    id : 325486

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.1 K

    PULPROG : hsqcedetgp

    number of scans : 2 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.