Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C113H124N6/c1-104(2,3)68-35-45-88-78(55-68)79-56-69(105(4,5)6)36-46-89(79)115(88)99-98(67-33-31-66(65-114)32-34-67)100(116-90-47-37-70(106(7,8)9)57-80(90)81-58-71(107(10,11)12)38-48-91(81)116)102(118-94-51-41-74(110(19,20)21)61-84(94)85-62-75(111(22,23)24)42-52-95(85)118)103(119-96-53-43-76(112(25,26)27)63-86(96)87-64-77(113(28,29)30)44-54-97(87)119)101(99)117-92-49-39-72(108(13,14)15)59-82(92)83-60-73(109(16,17)18)40-50-93(83)117/h31-64H,1-30H3
SMILES N#Cc1ccc(cc1)c1c(c(n2c3ccc(cc3c3c2ccc(c3)C(C)(C)C)C(C)(C)C)c(c(c1n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C
InChI Key LAOXHDIHXKZUAO-UHFFFAOYSA-N
Molecular Formula C113H124N6
Exact Mass 1566.234 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LAOXHDIHXKZUAO-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/LAOXHDIHXKZUAO-UHFFFAOYSA-N/CHMO0000593
Version
Author Céline Leonhardt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-22
Related Molecule
  • 4-[2,3,4,5,6-pentakis(3,6-ditert-butylcarbazol-9-yl)phenyl]benzonitrile
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164791509 pubchem
    The data in this table is sourced from UniChem at EBI.