Molecule

(1-benzyl-2-phenylindol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanone

Chemical Information

Molecular Image

InChI	InChI=1S/C28H16F5NO/c29-22-21(23(30)25(32)26(33)24(22)31)28(35)20-18-13-7-8-14-19(18)34(15-16-9-3-1-4-10-16)27(20)17-11-5-2-6-12-17/h1-14H,15H2
SMILES	O=C(c1c(c2ccccc2)n(c2c1cccc2)Cc1ccccc1)c1c(F)c(F)c(c(c1F)F)F
InChI Key	JSFGZCLKZHTGQA-UHFFFAOYSA-N
Exact Mass	477.425 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-mol2526
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
164889699	pubchem
The data in this table is sourced from UniChem at EBI.