Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C29H8F20O4/c30-5-9(34)17(42)25(18(43)10(5)35)50-1-29(2-51-26-19(44)11(36)6(31)12(37)20(26)45,3-52-27-21(46)13(38)7(32)14(39)22(27)47)4-53-28-23(48)15(40)8(33)16(41)24(28)49/h1-4H2 |
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SMILES | Fc1c(OCC(COc2c(F)c(F)c(c(c2F)F)F)(COc2c(F)c(F)c(c(c2F)F)F)COc2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)F)F |
InChI Key | XLECPAYGUDAPKN-UHFFFAOYSA-N |
Molecular Formula | C29H8F20O4 |
Exact Mass | 800.339 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/XLECPAYGUDAPKN-UHFFFAOYSA-N/CHMO0000595 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/XLECPAYGUDAPKN-UHFFFAOYSA-N/CHMO0000595 |
Version | |
Author | Lisa Schmidt |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T02:02:33.741576 |
MetadataModified | 2024-09-08T02:02:33.741581 |
MetadataPublished | 2023-12-05 |
Field | Value |
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Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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152409620 | PubChem |
The data in this table is sourced from UniChem at EBI. |