Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Info

molecular Image
InChI InChI=1S/C59H88N2O2S3/c1-5-9-13-17-21-25-31-44(32-26-22-18-14-10-6-2)43-60-50-41-52(45-33-29-37-48(62)39-45)64-56(50)58-54(60)55-59(66-58)57-51(42-53(65-57)46-34-30-38-49(63)40-46)61(55)47(35-27-23-19-15-11-7-3)36-28-24-20-16-12-8-4/h39-42,44,47H,5-38,43H2,1-4H3
SMILES CCCCCCCCC(Cn1c2cc(sc2c2c1c1c(s2)c2c(n1C(CCCCCCCC)CCCCCCCC)cc(s2)C1=CC(=O)CCC1)C1=CC(=O)CCC1)CCCCCCCC
InChI Key RJTKORPBMKTJHI-UHFFFAOYSA-N
Exact Mass 953.537 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RJTKORPBMKTJHI-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/RJTKORPBMKTJHI-UHFFFAOYSA-N/CHMO0001150
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-28
Related Molecule
  • 3-[17-heptadecan-9-yl-3-(2-octyldecyl)-14-(3-oxocyclohexen-1-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]cyclohex-2-en-1-one
    • Field Value
    Measurement Technique CHMO:0001150
    Measurement Variables
    title : SVS-X26602

    date : 20250301

    starting time : 8.03 h

    label : ComP-24310

    id : 355607

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : spect

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