Molecule

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-[2-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]indol-3-yl]octan-1-one

Chemical Information

Molecular Image

InChI	InChI=1S/C31H20F15NO2/c1-16-7-9-17(10-8-16)15-47-21-6-4-3-5-20(21)22(23(47)18-11-13-19(49-2)14-12-18)24(48)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)46/h3-14H,15H2,1-2H3
SMILES	COc1ccc(cc1)c1c(c2c(n1Cc1ccc(cc1)C)cccc2)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	KIRFLFIRAMPYKM-UHFFFAOYSA-N
Exact Mass	723.472 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 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)

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-mol2793
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
164889709	pubchem
The data in this table is sourced from UniChem at EBI.