Molecule

1-(1-benzyl-2-phenylindol-3-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-one

Chemical Information

Molecular Image

InChI	InChI=1S/C29H16F15NO/c30-23(31,24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)44)22(46)20-18-13-7-8-14-19(18)45(15-16-9-3-1-4-10-16)21(20)17-11-5-2-6-12-17/h1-14H,15H2
SMILES	O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1c(c2ccccc2)n(c2c1cccc2)Cc1ccccc1
InChI Key	CDVMGELSTOUEQI-UHFFFAOYSA-N
Exact Mass	679.419 g/mol

18 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 nuclear magnetic resonance spectroscopy (1H NMR)

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

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

distortionless enhancement with polarization transfer (DEPT)

distortionless enhancement with polarization transfer (DEPT)

heteronuclear single quantum coherence (HSQC)

infrared absorption spectroscopy (IR)

mass spectrometry (MS)

process

process

process

single crystal X-ray diffraction (single-crystal X-ray diffraction)

two-dimensional nuclear magnetic resonance spectroscopy (2D NMR)

ultraviolet-visible spectrophotometry (UV-VIS)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol7911
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
164889684	pubchem
The data in this table is sourced from UniChem at EBI.