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Diflusinal, o-(N-propyloxycarbonyl)-, methyl ester
SpectraBase Compound ID 4J6G1q8mDTD
InChI InChI=1S/C18H16F2O5/c1-3-8-24-18(22)25-16-7-4-11(9-14(16)17(21)23-2)13-6-5-12(19)10-15(13)20/h4-7,9-10H,3,8H2,1-2H3
InChIKey VQUQDUKWJWQGMR-UHFFFAOYSA-N
Mol Weight 350.32 g/mol
Molecular Formula C18H16F2O5
Exact Mass 350.09658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8W4zfu16Xw9
Name Diflusinal, o-(N-propyloxycarbonyl)-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 350.096579936 u
Formula C18H16F2O5
InChI InChI=1S/C18H16F2O5/c1-3-8-24-18(22)25-16-7-4-11(9-14(16)17(21)23-2)13-6-5-12(19)10-15(13)20/h4-7,9-10H,3,8H2,1-2H3
InChIKey VQUQDUKWJWQGMR-UHFFFAOYSA-N
Molecular Weight 350.318 g/mol
SMILES C1(=CC=C(C(=C1)C(=O)OC)OC(OCCC)=O)C=1C(=CC(=CC1)F)F