John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=F2adcTDvJ8X SpectraBase Spectrum ID=2VVVTeoX7ck

(accessed ).
FUB-NPB-22
SpectraBase Compound ID F2adcTDvJ8X
InChI InChI=1S/C24H16FN3O2/c25-18-12-10-16(11-13-18)15-28-20-8-2-1-7-19(20)23(27-28)24(29)30-21-9-3-5-17-6-4-14-26-22(17)21/h1-14H,15H2
InChIKey NYHGKZZRRCVGAU-UHFFFAOYSA-N
Mol Weight 397.41 g/mol
Molecular Formula C24H16FN3O2
Exact Mass 397.122655 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2VVVTeoX7ck
Name FUB-NPB-22
Source of Sample Cayman Chemical Company
Catalog Number 16883
Lot Number 0464270-17
Cell Type NMR tube
Compound Type Pure
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Formula C24H16FN3O2
IUPAC Name Quinolin-8-yl 1-(4-fluorobenzyl)-1H-indazole-3-carboxylate
InChI InChI=1S/C24H16FN3O2/c25-18-12-10-16(11-13-18)15-28-20-8-2-1-7-19(20)23(27-28)24(29)30-21-9-3-5-17-6-4-14-26-22(17)21/h1-14H,15H2
InChIKey NYHGKZZRRCVGAU-UHFFFAOYSA-N
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Power 597 mW
Raman Laser Source Nd:YAG
SMILES C1=2C=CC=CC2N(N=C1C(OC=1C=CC=C2C=CC=NC12)=O)CC=1C=CC(=CC1)F
Scans Performed 2176
Source of Spectrum Forensic Spectral Research
SpectraBase Batch ID 9fzKEdWUdS4
Synonyms 5-Fluoro NIN; FUB-PB-22 indazole analog
Technique FT-Raman