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This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.
Formula: C27H3F12N9O6
Canonical 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: 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
InChIKey: QPMRFIBNWHZVRL-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2023-12-05
heteronuclear single quantum coherence (HSQC)
Author: 
Lisa Schmidt1
1. IOC AK Bräse, Karlsruhe Institute of Technology, Deutschland
Analysis DOI:
Analysis ID:
Datasets