Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Information

molecular Image
InChI InChI=1S/C60H57FN4/c1-57(2,3)34-16-24-50-44(28-34)45-29-35(58(4,5)6)17-25-51(45)64(50)38-20-22-40-42(32-38)43-33-39(21-23-41(43)55-54(40)62-49-15-13-14-48(61)56(49)63-55)65-52-26-18-36(59(7,8)9)30-46(52)47-31-37(60(10,11)12)19-27-53(47)65/h13-33H,1-12H3
SMILES Fc1cccc2c1nc1c3ccc(cc3c3c(c1n2)ccc(c3)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C
InChI Key ORNLRXKMXKFGED-UHFFFAOYSA-N
Molecular Formula C60H57FN4
Exact Mass 853.120 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ORNLRXKMXKFGED-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/ORNLRXKMXKFGED-UHFFFAOYSA-N/CHMO0000597
Version
Author Gloria Hong
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
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    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.