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Naphthalene-2-carboxylic acid, 1-ethoxycarbonyl-2,2,2-trifluoroethyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Naphthalene-2-carboxylic acid, 1-ethoxycarbonyl-2,2,2-trifluoroethyl ester
SpectraBase Compound ID 3XM0YdZwW6b
InChI InChI=1S/C16H13F3O4/c1-2-22-15(21)13(16(17,18)19)23-14(20)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,2H2,1H3
InChIKey UYTLCJSHEYAGPI-UHFFFAOYSA-N
Mol Weight 326.27 g/mol
Molecular Formula C16H13F3O4
Exact Mass 326.076593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FEKn7lJefAB
Name Naphthalene-2-carboxylic acid, 1-ethoxycarbonyl-2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 326.076593384 u
Formula C16H13F3O4
InChI InChI=1S/C16H13F3O4/c1-2-22-15(21)13(16(17,18)19)23-14(20)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,2H2,1H3
InChIKey UYTLCJSHEYAGPI-UHFFFAOYSA-N
Molecular Weight 326.271 g/mol
SMILES C1=CC=CC2=C1C=CC(C(OC(C(=O)OCC)C(F)(F)F)=O)=C2