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 2023-12-05No License

 

infrared absorption spectroscopy (IR) 
Author: Lisa Schmidt1

1. IOC AK Bräse, Karlsruhe Institute of Technology, Deutschland

Analysis DOI:
Analysis ID:
Content:   
IR (ATR, ṽ) = 3094 (vw), 2931 (vw), 2279 (vw), 2121 (vs), 1744 (vs), 1642 (m), 1606 (m), 1483 (vs), 1456 (m), 1424 (m), 1411 (s), 1327 (s), 1288 (w), 1265 (s), 1247 (vs), 1167 (vs), 1139 (s), 1126 (s), 1113 (vs), 1052 (w), 1027 (vs), 1006 (vs), 972 (s), 962 (s), 912 (s), 880 (w), 861 (m), 824 (w), 813 (w), 788 (m), 773 (s), 710 (w), 700 (w), 671 (s), 650 (w), 626 (w), 602 (w), 588 (w), 575 (w), 554 (w), 544 (w), 524 (m), 487 (w), 442 (w), 411 (w), 392 (w) cm–1.
Datasets