Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C60H59ClN4/c1-57(2,3)38-17-25-52-46(29-38)47-30-39(58(4,5)6)18-26-53(47)64(52)42-21-13-36(14-22-42)44-33-50-51(63-56(61)35-62-50)34-45(44)37-15-23-43(24-16-37)65-54-27-19-40(59(7,8)9)31-48(54)49-32-41(60(10,11)12)20-28-55(49)65/h13-35H,1-12H3
SMILES Clc1cnc2c(n1)cc(c(c2)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C
InChI Key SLAGDKQQJNRGFK-UHFFFAOYSA-N
Exact Mass 871.590 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SLAGDKQQJNRGFK-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/SLAGDKQQJNRGFK-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 3,6-ditert-butyl-9-[4-[2-chloro-7-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]quinoxalin-6-yl]phenyl]carbazole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : LSH-R627 (F1-7)

    date : 20220921

    starting time : 18.03 h

    label : LSH-1110

    id : 99981

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : zgpg30

    number of scans : 1024 scans

    instrument : spect

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