Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C40H42N6/c1-8-9-12-29-25-45(44-43-29)38-37(41-33-13-10-11-14-34(33)42-38)26-15-19-30(20-16-26)46-35-21-17-27(39(2,3)4)23-31(35)32-24-28(40(5,6)7)18-22-36(32)46/h10-11,13-25H,8-9,12H2,1-7H3
SMILES CCCCc1nnn(c1)c1nc2ccccc2nc1c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C
InChI Key NTSCYBVTRUMJRO-UHFFFAOYSA-N
Exact Mass 606.802 g/mol

Data and Resources

Metadata Information

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