Molecule

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-[1-[(4-fluorophenyl)methyl]-2-phenylindol-3-yl]octan-1-one

Chemical Information

Molecular Image

InChI	InChI=1S/C29H15F16NO/c30-17-12-10-15(11-13-17)14-46-19-9-5-4-8-18(19)20(21(46)16-6-2-1-3-7-16)22(47)23(31,32)24(33,34)25(35,36)26(37,38)27(39,40)28(41,42)29(43,44)45/h1-13H,14H2
SMILES	Fc1ccc(cc1)Cn1c(c2ccccc2)c(c2c1cccc2)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key	QOXYOJVMQMEDIX-UHFFFAOYSA-N
Exact Mass	697.410 g/mol

14 Related Dataset(s) ⌄

13C nuclear magnetic resonance spectroscopy (13C NMR)

19F nuclear magnetic resonance spectroscopy (19F NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

1H--1H correlation spectroscopy (1H-1H COSY)

diffraction method (crystallography)

distortionless enhancement with polarization transfer (DEPT)

distortionless enhancement with polarization transfer (DEPT)

heteronuclear multiple bond coherence (HMBC)

heteronuclear single quantum coherence (HSQC)

infrared absorption spectroscopy (IR)

mass spectrometry (MS)

ultraviolet-visible spectrophotometry (UV-VIS)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol1207
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
164889701	pubchem
The data in this table is sourced from UniChem at EBI.