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Terephthalic acid, monoamide, N-(2-fluorophenyl)-, butyl ester

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Terephthalic acid, monoamide, N-(2-fluorophenyl)-, butyl ester
SpectraBase Compound ID OC3nh2319b
InChI InChI=1S/C18H18FNO3/c1-2-3-12-23-18(22)14-10-8-13(9-11-14)17(21)20-16-7-5-4-6-15(16)19/h4-11H,2-3,12H2,1H3,(H,20,21)
InChIKey XUAXTDVCHKCKAH-UHFFFAOYSA-N
Mol Weight 315.34 g/mol
Molecular Formula C18H18FNO3
Exact Mass 315.127072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1FME07D8Pu8
Name Terephthalic acid, monoamide, N-(2-fluorophenyl)-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 315.127071604 u
Formula C18H18FNO3
InChI InChI=1S/C18H18FNO3/c1-2-3-12-23-18(22)14-10-8-13(9-11-14)17(21)20-16-7-5-4-6-15(16)19/h4-11H,2-3,12H2,1H3,(H,20,21)
InChIKey XUAXTDVCHKCKAH-UHFFFAOYSA-N
Molecular Weight 315.344 g/mol
SMILES C(COC(=O)C1=CC=C(C=C1)C(=O)NC1=C(C=CC=C1)F)CC