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(E/Z)-ethyl 2,2-difluoro-3-(morpholinoimino)-3-phenylpropanoate
SpectraBase Compound ID 3oLIE9jkFDe
InChI InChI=1S/C15H18F2N2O3/c1-2-22-14(20)15(16,17)13(12-6-4-3-5-7-12)18-19-8-10-21-11-9-19/h3-7H,2,8-11H2,1H3
InChIKey QTCPYFWNGXFVCP-UHFFFAOYSA-N
Mol Weight 312.32 g/mol
Molecular Formula C15H18F2N2O3
Exact Mass 312.128549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fWgqxWj7tL
Name (E/Z)-ethyl 2,2-difluoro-3-(morpholinoimino)-3-phenylpropanoate
Appearance Yellow oil
Carrier Gas Helium
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Exact Mass 312.128548771 u
Formula C15H18F2N2O3
InChI InChI=1S/C15H18F2N2O3/c1-2-22-14(20)15(16,17)13(12-6-4-3-5-7-12)18-19-8-10-21-11-9-19/h3-7H,2,8-11H2,1H3
InChIKey QTCPYFWNGXFVCP-UHFFFAOYSA-N
Instrument Name Agilent 5890 Series II Plus-HP 5972
Ionization Type EI
Literature Reference DOI 10.1002/anie.201508622
Molecular Weight 312.317 g/mol
Quality 920
Reported Formula C15H18F2N2O3
SMILES C1=CC(=CC=C1)C(=NN1CCOCC1)C(C(OCC)=O)(F)F
SPLASH splash10-08g0-9845000000-c2d5ba229a1f9fdb14bb
Sample Comments E/Z = 8:1
Source of Spectrum ACI-55-SM4-13a (DOI: 10.1002/anie.201508622)
Wiley ID 1897470