Molecule

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

Chemical Information

Molecular Image

InChI	InChI=1S/C30H17F16NO/c1-15-6-8-16(9-7-15)14-47-20-5-3-2-4-19(20)21(22(47)17-10-12-18(31)13-11-17)23(48)24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)30(44,45)46/h2-13H,14H2,1H3
SMILES	Fc1ccc(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	LUBINYNOHWELAF-UHFFFAOYSA-N
Exact Mass	711.437 g/mol

13 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)

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-mol3052
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
164889724	pubchem
The data in this table is sourced from UniChem at EBI.