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Diethyl .alpha.-acetamodo-.alpha.-(2,6-difluorobenzyl)malonate

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

Diethyl .alpha.-acetamodo-.alpha.-(2,6-difluorobenzyl)malonate
SpectraBase Compound ID 5XIryeYeSDq
InChI InChI=1S/C16H19F2NO5/c1-4-23-14(21)16(19-10(3)20,15(22)24-5-2)9-11-12(17)7-6-8-13(11)18/h6-8H,4-5,9H2,1-3H3,(H,19,20)
InChIKey MTJPSPZSNACCJG-UHFFFAOYSA-N
Mol Weight 343.33 g/mol
Molecular Formula C16H19F2NO5
Exact Mass 343.123129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3PHvtHbLGWj
Name Diethyl .alpha.-acetamodo-.alpha.-(2,6-difluorobenzyl)malonate
Comments Computed using HOSE algorithm
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Exact Mass 343.123129037 u
Formula C16H19F2NO5
InChI InChI=1S/C16H19F2NO5/c1-4-23-14(21)16(19-10(3)20,15(22)24-5-2)9-11-12(17)7-6-8-13(11)18/h6-8H,4-5,9H2,1-3H3,(H,19,20)
InChIKey MTJPSPZSNACCJG-UHFFFAOYSA-N
Molecular Weight 343.327 g/mol
SMILES CC(=O)NC(CC1=C(C=CC=C1F)F)(C(=O)OCC)C(OCC)=O