Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C70H43N7O/c71-43-54-65(74-55-35-15-7-27-46(55)47-28-8-16-36-56(47)74)64(70-73-72-69(78-70)63(44-23-3-1-4-24-44)45-25-5-2-6-26-45)67(76-59-39-19-11-31-50(59)51-32-12-20-40-60(51)76)68(77-61-41-21-13-33-52(61)53-34-14-22-42-62(53)77)66(54)75-57-37-17-9-29-48(57)49-30-10-18-38-58(49)75/h1-42,63H
SMILES N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)C(c2ccccc2)c2ccccc2)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key AGYPLZHKXMPAFZ-UHFFFAOYSA-N
Molecular Formula C70H43N7O
Exact Mass 998.137 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AGYPLZHKXMPAFZ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/AGYPLZHKXMPAFZ-UHFFFAOYSA-N/CHMO0000593
Version
Author Fabian Hundemer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-07
Related Molecule
  • 3-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-2,4,5,6-tetra(carbazol-9-yl)benzonitrile
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453731 PubChem
    The data in this table is sourced from UniChem at EBI.