Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Info

molecular Image
InChI InChI=1S/C49H37N5/c1-48(2)36-14-5-9-19-41(36)53(42-20-10-6-15-37(42)48)30-23-25-32-34(28-30)35-29-31(24-26-33(35)46-45(32)51-40-18-13-27-50-47(40)52-46)54-43-21-11-7-16-38(43)49(3,4)39-17-8-12-22-44(39)54/h5-29H,1-4H3
SMILES CC1(C)c2ccccc2N(c2c1cccc2)c1ccc2c(c1)c1cc(ccc1c1c2nc2ncccc2n1)N1c2ccccc2C(c2c1cccc2)(C)C
InChI Key YUGQZLIRQPRKQH-UHFFFAOYSA-N
Molecular Formula C49H37N5
Exact Mass 695.852 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YUGQZLIRQPRKQH-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/YUGQZLIRQPRKQH-UHFFFAOYSA-N/CHMO0000599
Version
Author Jason Hofmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-25
Related Molecule
  • 5,10-bis(9,9-dimethylacridin-10-yl)-15,17,22-triazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16(21),17,19-undecaene
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    temperature : 295.7 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    title : Sep12-2024

    date : 20240912

    starting time : 11.59 h

    instrument : Avance NEO

    label : JSH-241

    id : 322661

    Solvent : chloroform-D1 (CDCl3)

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