Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C107H121N9/c1-98(2,3)61-31-41-81-71(51-61)72-52-62(99(4,5)6)32-42-82(72)112(81)92-91(97-108-110-111-109-97)93(113-83-43-33-63(100(7,8)9)53-73(83)74-54-64(101(10,11)12)34-44-84(74)113)95(115-87-47-37-67(104(19,20)21)57-77(87)78-58-68(105(22,23)24)38-48-88(78)115)96(116-89-49-39-69(106(25,26)27)59-79(89)80-60-70(107(28,29)30)40-50-90(80)116)94(92)114-85-45-35-65(102(13,14)15)55-75(85)76-56-66(103(16,17)18)36-46-86(76)114/h31-60H,1-30H3,(H,108,109,110,111)
SMILES CC(c1ccc2c(c1)c1cc(ccc1n2c1c(n2c3ccc(cc3c3c2ccc(c3)C(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)c1nn[nH]n1)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C
InChI Key ODWHLKFAWRSOGN-UHFFFAOYSA-N
Molecular Formula C107H121N9
Exact Mass 1533.166 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ODWHLKFAWRSOGN-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/ODWHLKFAWRSOGN-UHFFFAOYSA-N/CHMO0001146
Version
Author Felix René Schumann
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-22
Related Molecule
  • 3,6-ditert-butyl-9-[2,3,4,5-tetrakis(3,6-ditert-butylcarbazol-9-yl)-6-(2H-tetrazol-5-yl)phenyl]carbazole
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : Nov20-2021-braese

    date : 20211120

    starting time : 6.01

    label : CEL-131

    id : 79316

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : hsqcedetgp

    number of scans : 2 scans

    instrument : spect

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