Dataset

heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY)

dataset for heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY)

Chemical Information

molecular Image
InChI InChI=1S/C60H46N2S2/c1-5-13-49(14-6-1)61(50-15-7-2-8-16-50)53-33-29-47(30-34-53)57-37-39-59(63-57)55-41-43-21-25-45(55)27-23-44-22-26-46(28-24-43)56(42-44)60-40-38-58(64-60)48-31-35-54(36-32-48)62(51-17-9-3-10-18-51)52-19-11-4-12-20-52/h1-22,25-26,29-42H,23-24,27-28H2
SMILES c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1ccc(s1)c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(s1)c1ccc(cc1)N(c1ccccc1)c1ccccc1
InChI Key FMYGRWYRJAIBLR-UHFFFAOYSA-N
Molecular Formula C60H46N2S2
Exact Mass 859.151 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FMYGRWYRJAIBLR-UHFFFAOYSA-N/CHMO0001071
License URL
Source https://www.chemotion-repository.net/inchikey/FMYGRWYRJAIBLR-UHFFFAOYSA-N/CHMO0001071
Version
Author Steffen Otterbach
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-13
Related Molecule
  • N,N-diphenyl-4-[5-[11-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]aniline
    • Field Value
    Measurement Technique heteronuclear single quantum coherence total correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    169408867 PubChem
    The data in this table is sourced from UniChem at EBI.