Dataset
19F nuclear magnetic resonance spectroscopy (19F NMR)
Chemical Info
InChI | InChI=1S/C29H14F8N6O4/c1-29(2,11-3-7-13(8-4-11)46-27(44)15-17(30)21(34)25(40-42-38)22(35)18(15)31)12-5-9-14(10-6-12)47-28(45)16-19(32)23(36)26(41-43-39)24(37)20(16)33/h3-10H,1-2H3 |
---|---|
SMILES | O=C(c1c(F)c(F)c(c(c1F)F)N=[N+]=[N-])Oc1ccc(cc1)C(c1ccc(cc1)OC(=O)c1c(F)c(F)c(c(c1F)F)N=[N+]=[N-])(C)C |
InChI Key | LFTBPIVRRIXEJP-UHFFFAOYSA-N |
Molecular Formula | C29H14F8N6O4 |
Exact Mass | 662.446 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/LFTBPIVRRIXEJP-UHFFFAOYSA-N/CHMO0000597 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/LFTBPIVRRIXEJP-UHFFFAOYSA-N/CHMO0000597 |
Version | |
Author | Lisa Schmidt |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T02:02:48.729806 |
MetadataModified | 2024-09-08T02:02:48.729810 |
MetadataPublished | 2023-12-05 |
Field | Value |
---|---|
Measurement Technique | 19F nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
169448338 | PubChem |
The data in this table is sourced from UniChem at EBI. |