Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C115H120F15N7O/c1-99(2,3)61-31-41-81-71(51-61)72-52-62(100(4,5)6)32-42-82(72)133(81)92-91(97-131-132-98(138-97)109(116,117)110(118,119)111(120,121)112(122,123)113(124,125)114(126,127)115(128,129)130)93(134-83-43-33-63(101(7,8)9)53-73(83)74-54-64(102(10,11)12)34-44-84(74)134)95(136-87-47-37-67(105(19,20)21)57-77(87)78-58-68(106(22,23)24)38-48-88(78)136)96(137-89-49-39-69(107(25,26)27)59-79(89)80-60-70(108(28,29)30)40-50-90(80)137)94(92)135-85-45-35-65(103(13,14)15)55-75(85)76-56-66(104(16,17)18)36-46-86(76)135/h31-60H,1-30H3
SMILES FC(C(c1nnc(o1)c1c(n2c3ccc(cc3c3c2ccc(c3)C(C)(C)C)C(C)(C)C)c(c(c(c1n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI Key XDXOSEBPTLONMM-UHFFFAOYSA-N
Molecular Formula C115H120F15N7O
Exact Mass 1901.206 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XDXOSEBPTLONMM-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/XDXOSEBPTLONMM-UHFFFAOYSA-N/CHMO0000593
Version
Author Martina Constanze Kämpfe
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-22
Related Molecule
  • 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-5-[2,3,4,5,6-pentakis(3,6-ditert-butylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.