Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C46H56N10/c1-43(2,3)37-22-26-53(49-37)41(54-27-23-38(50-54)44(4,5)6)35-20-14-18-33(47-35)31-16-13-17-32(30-31)34-19-15-21-36(48-34)42(55-28-24-39(51-55)45(7,8)9)56-29-25-40(52-56)46(10,11)12/h13-30,41-42H,1-12H3
SMILES CC(c1ccn(n1)C(n1ccc(n1)C(C)(C)C)c1cccc(n1)c1cccc(c1)c1cccc(n1)C(n1ccc(n1)C(C)(C)C)n1ccc(n1)C(C)(C)C)(C)C
InChI Key UFCLKIGYJBWLLX-UHFFFAOYSA-N
Exact Mass 749.004 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UFCLKIGYJBWLLX-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/UFCLKIGYJBWLLX-UHFFFAOYSA-N/CHMO0000595
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-05-12T14:48:51Z
Related Molecule
  • nfdi4chem-mol9144 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2022-06-10

    Start time : 04:45:21 UTC

    Creator : Christine Charlotte Müller

    Label : CMU-46

    ID : 138394

    Solvent : CDCl3

    Temperature : 300.1452 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

    Name : TopSpin

    Version : 3.5 pl 7

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