For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl 4-(1-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)-1,4,5,6-tetrahydropyridazin-4-yl) benzoate
SpectraBase Compound ID 4vKnDIALbb2
InChI InChI=1S/C23H18BrF3N2O2/c1-31-22(30)15-8-6-14(7-9-15)16-12-13-29(28-21(16)23(25,26)27)20-11-10-19(24)17-4-2-3-5-18(17)20/h2-11,16H,12-13H2,1H3
InChIKey FCFXWDDTPUIMAC-UHFFFAOYSA-N
Mol Weight 491.31 g/mol
Molecular Formula C23H18BrF3N2O2
Exact Mass 490.050375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4gOai9eVcfT
Name Methyl 4-(1-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)-1,4,5,6-tetrahydropyridazin-4-yl) benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18BrF3N2O2
InChI InChI=1S/C23H18BrF3N2O2/c1-31-22(30)15-8-6-14(7-9-15)16-12-13-29(28-21(16)23(25,26)27)20-11-10-19(24)17-4-2-3-5-18(17)20/h2-11,16H,12-13H2,1H3
InChIKey FCFXWDDTPUIMAC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201301638
Molecular Weight 491.308 g/mol
SMILES C1(=NN(CCC1c1ccc(C(OC)=O)cc1)c1ccc(c2c1cccc2)Br)C(F)(F)F
SPLASH splash10-0006-0100900000-1a9b93156daa435ea9e5
Source of Spectrum ACI-52-SM8-5
Synonyms Methyl 4-(1-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)-1,4,5,6-tetrahydropyridazin-4-yl)benzoate
Wiley ID 1781332