Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Info

molecular Image
InChI InChI=1S/C106H80N10/c1-61-51-74(64-54-88-102(108-60-64)112-100-72-50-46-68(116-95-41-25-17-33-85(95)106(9,10)86-34-18-26-42-96(86)116)58-78(72)76-56-66(44-48-70(76)98(100)110-88)114-91-37-21-13-29-81(91)104(5,6)82-30-14-22-38-92(82)114)62(2)52-73(61)63-53-87-101(107-59-63)111-99-71-49-45-67(115-93-39-23-15-31-83(93)105(7,8)84-32-16-24-40-94(84)115)57-77(71)75-55-65(43-47-69(75)97(99)109-87)113-89-35-19-11-27-79(89)103(3,4)80-28-12-20-36-90(80)113/h11-60H,1-10H3
SMILES Cc1cc(c(cc1c1cnc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C)C)c1cnc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C
InChI Key DMZUOABUOWFVOT-UHFFFAOYSA-N
Molecular Formula C106H80N10
Exact Mass 1493.836 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DMZUOABUOWFVOT-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/DMZUOABUOWFVOT-UHFFFAOYSA-N/CHMO0000599
Version
Author Jason Hofmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-25
Related Molecule
  • 19-[4-[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-undecaen-19-yl]-2,5-dimethylphenyl]-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 : 297.6 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    title : Sep11-2024

    date : 20240911

    starting time : 11.17 h

    instrument : Avance NEO

    label : JSH-221

    id : 320803

    Solvent : chloroform-D1 (CDCl3)

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