Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C27H3F12N9O6/c28-10-7(11(29)17(35)22(16(10)34)43-46-40)25(49)52-4-1-5(53-26(50)8-12(30)18(36)23(44-47-41)19(37)13(8)31)3-6(2-4)54-27(51)9-14(32)20(38)24(45-48-42)21(39)15(9)33/h1-3H
SMILES	O=C(c1c(F)c(F)c(c(c1F)F)N=[N+]=[N-])Oc1cc(OC(=O)c2c(F)c(F)c(c(c2F)F)N=[N+]=[N-])cc(c1)OC(=O)c1c(F)c(F)c(c(c1F)F)N=[N+]=[N-]
InChI Key	QPMRFIBNWHZVRL-UHFFFAOYSA-N
Molecular Formula	C27H3F12N9O6
Exact Mass	777.350 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/QPMRFIBNWHZVRL-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/QPMRFIBNWHZVRL-UHFFFAOYSA-N/CHMO0000597
Version
Author	Lisa Schmidt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:02:07.463802
MetadataModified	2024-09-08T02:02:07.463807
MetadataPublished	2023-12-05

Field	Value
Measurement Technique	19F nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
169448339	PubChem
The data in this table is sourced from UniChem at EBI.