Dataset

nuclear magnetic resonance spectroscopy (NMR)

dataset for nuclear magnetic resonance spectroscopy (NMR)

Chemical Information

molecular Image
InChI InChI=1S/C26H27N/c1-26(2,3)21-14-15-23-22(16-21)24-19-10-8-17-4-6-18(7-5-17)9-11-20(13-12-19)25(24)27-23/h4-7,12-16,27H,8-11H2,1-3H3
SMILES CC(c1ccc2c(c1)c1c3ccc(c1[nH]2)CCc1ccc(CC3)cc1)(C)C
InChI Key MQIUYINSOOKLMG-UHFFFAOYSA-N
Molecular Formula C26H27N
Exact Mass 353.499 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MQIUYINSOOKLMG-UHFFFAOYSA-N/CHMO0000591
License URL
Source https://www.chemotion-repository.net/inchikey/MQIUYINSOOKLMG-UHFFFAOYSA-N/CHMO0000591
Version
Author Jasmin Seibert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-26
Related Molecule
  • 5-tert-butyl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene
    • Field Value
    Measurement Technique nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : Jan10-2023-braese

    date : 20230110

    starting time : 8.53 h

    label : JTS-26

    id : 99392

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

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