Dataset
19F nuclear magnetic resonance spectroscopy (19F NMR)
Chemical Info
InChI | InChI=1S/2C28H35N5.2Cu.2F6P/c2*1-25(2)19-10-12-27(25,5)22-17(19)15-32(30-22)24(21-9-7-8-14-29-21)33-16-18-20-11-13-28(6,23(18)31-33)26(20,3)4;;;2*1-7(2,3,4,5)6/h2*7-9,14-16,19-20,24H,10-13H2,1-6H3;;;;/q;;2*+1;2*-1/t2*19-,20-,27+,28+;;;;/m11..../s1 |
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SMILES | F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.CC1(C)[C@@H]2CC[C@@]1(C)c1c2cn(n1)C(n1cc2c(n1)[C@]1(C([C@@H]2CC1)(C)C)C)c1ccccn1.CC1(C)[C@@H]2CC[C@@]1(C)c1c2cn(n1)C(n1cc2c(n1)[C@]1(C([C@@H]2CC1)(C)C)C)c1ccccn1.[Cu+][Cu+] |
InChI Key | FHXONRJROWMHDX-QUJLYIJBSA-N |
Molecular Formula | C56H70Cu2F12N10P2 |
Exact Mass | 1300.242 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/FHXONRJROWMHDX-QUJLYIJBSA-N/CHMO0000597 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/FHXONRJROWMHDX-QUJLYIJBSA-N/CHMO0000597 |
Version | |
Author | Sonja Herres-Pawlis |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T05:12:02.593315 |
MetadataModified | 2024-09-07T20:36:57.848145 |
MetadataPublished | 2021-10-16 |
Field | Value |
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Measurement Technique | 19F nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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156619350 | PubChem |
The data in this table is sourced from UniChem at EBI. |