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7-(Dimethylamino)-4-(trifluoromethyl)coumarin

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

7-(Dimethylamino)-4-(trifluoromethyl)coumarin
SpectraBase Compound ID j7mD2eaKc9
InChI InChI=1S/C12H10F3NO2/c1-16(2)7-3-4-8-9(12(13,14)15)6-11(17)18-10(8)5-7/h3-6H,1-2H3
InChIKey KDTAEYOYAZPLIC-UHFFFAOYSA-N
Mol Weight 257.21 g/mol
Molecular Formula C12H10F3NO2
Exact Mass 257.066363 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JS7XzyDHbfF
Name 7-Dimethylamino-4-(trifluoromethyl)coumarin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.066363053 u
Formula C12H10F3NO2
InChI InChI=1S/C12H10F3NO2/c1-16(2)7-3-4-8-9(12(13,14)15)6-11(17)18-10(8)5-7/h3-6H,1-2H3
InChIKey KDTAEYOYAZPLIC-UHFFFAOYSA-N
Molecular Weight 257.212 g/mol
SMILES C1(=O)C=C(C2=C(O1)C=C(C=C2)N(C)C)C(F)(F)F
Spectrum/Structure Validation Score (Raman) 0.917539