Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C107H120N6/c1-98(2,3)62-31-41-83-72(51-62)73-52-63(99(4,5)6)32-42-84(73)109(83)93-82(61-108)94(110-85-43-33-64(100(7,8)9)53-74(85)75-54-65(101(10,11)12)34-44-86(75)110)96(112-89-47-37-68(104(19,20)21)57-78(89)79-58-69(105(22,23)24)38-48-90(79)112)97(113-91-49-39-70(106(25,26)27)59-80(91)81-60-71(107(28,29)30)40-50-92(81)113)95(93)111-87-45-35-66(102(13,14)15)55-76(87)77-56-67(103(16,17)18)36-46-88(77)111/h31-60H,1-30H3
SMILES N#Cc1c(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 MXHYQOWIOCQRCN-UHFFFAOYSA-N
Molecular Formula C107H120N6
Exact Mass 1490.138 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MXHYQOWIOCQRCN-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/MXHYQOWIOCQRCN-UHFFFAOYSA-N/CHMO0000593
Version
Author Felix René Schumann
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-22
Related Molecule
  • 2,3,4,5,6-pentakis(3,6-ditert-butylcarbazol-9-yl)benzonitrile
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    20278728 surechembl
    30589481 surechembl
    30589482 surechembl
    135132592 pubchem
    The data in this table is sourced from UniChem at EBI.