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3-[1-Acetylamino-1-(2-fluorophenyl)methyl]-1-methylquinolin-2(1H)-one
SpectraBase Compound ID GmAbBpXVvub
InChI InChI=1S/C19H17FN2O2/c1-12(23)21-18(14-8-4-5-9-16(14)20)15-11-13-7-3-6-10-17(13)22(2)19(15)24/h3-11,18H,1-2H3,(H,21,23)
InChIKey VHYWHBAETQWITF-UHFFFAOYSA-N
Mol Weight 324.36 g/mol
Molecular Formula C19H17FN2O2
Exact Mass 324.127406 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FLSqYhxryu5
Name 3-[1-Acetylamino-1-(2-fluorophenyl)methyl]-1-methylquinolin-2(1H)-one
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 324.127405956 u
Formula C19H17FN2O2
InChI InChI=1S/C19H17FN2O2/c1-12(23)21-18(14-8-4-5-9-16(14)20)15-11-13-7-3-6-10-17(13)22(2)19(15)24/h3-11,18H,1-2H3,(H,21,23)
InChIKey VHYWHBAETQWITF-UHFFFAOYSA-N
Molecular Weight 324.355 g/mol
SMILES C1(N(C=2C=CC=CC2C=C1C(C=1C(=CC=CC1)F)NC(=O)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844942