Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C58H62N4/c1-55(2,3)37-17-25-51-45(29-37)46-30-38(56(4,5)6)18-26-52(46)61(51)41-21-13-35(14-22-41)43-33-49(59)50(60)34-44(43)36-15-23-42(24-16-36)62-53-27-19-39(57(7,8)9)31-47(53)48-32-40(58(10,11)12)20-28-54(48)62/h13-34H,59-60H2,1-12H3
SMILES Nc1cc(c2ccc(cc2)n2c3ccc(cc3c3c2ccc(c3)C(C)(C)C)C(C)(C)C)c(cc1N)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C
InChI Key BJWWWFIVLMNXKL-UHFFFAOYSA-N
Exact Mass 815.140 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BJWWWFIVLMNXKL-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/BJWWWFIVLMNXKL-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 4,5-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]benzene-1,2-diamine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.