Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C60H58N8/c1-57(2,3)35-17-23-48-41(29-35)42-30-36(58(4,5)6)18-24-49(42)65(48)39-21-27-52-45(33-39)46-34-40(22-28-53(46)67(52)55-56-62-63-64-68(56)54-16-14-13-15-47(54)61-55)66-50-25-19-37(59(7,8)9)31-43(50)44-32-38(60(10,11)12)20-26-51(44)66/h13-34H,1-12H3
SMILES CC(c1ccc2c(c1)c1cc(ccc1n2c1ccc2c(c1)c1cc(ccc1n2c1nc2ccccc2n2c1nnn2)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C
InChI Key HUYXPDNLUMOPMA-UHFFFAOYSA-N
Molecular Formula C60H58N8
Exact Mass 891.156 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HUYXPDNLUMOPMA-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/HUYXPDNLUMOPMA-UHFFFAOYSA-N/CHMO0001146
Version
Author Pit Turpel
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-08
Related Molecule
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    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.