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Succinic acid, naphth-2-ylmethyl 1-bromo-3,3,3-trifluoroprop-2-yl ester
SpectraBase Compound ID 7M5ZfTQITJl
InChI InChI=1S/C18H16BrF3O4/c19-10-15(18(20,21)22)26-17(24)8-7-16(23)25-11-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15H,7-8,10-11H2
InChIKey UZKUQCUGTQSKPW-UHFFFAOYSA-N
Mol Weight 433.22 g/mol
Molecular Formula C18H16BrF3O4
Exact Mass 432.018406 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZ7OBy5ZXad
Name Succinic acid, naphth-2-ylmethyl 1-bromo-3,3,3-trifluoroprop-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.018406480 u
Formula C18H16BrF3O4
InChI InChI=1S/C18H16BrF3O4/c19-10-15(18(20,21)22)26-17(24)8-7-16(23)25-11-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15H,7-8,10-11H2
InChIKey UZKUQCUGTQSKPW-UHFFFAOYSA-N
Molecular Weight 433.221 g/mol
SMILES C(CC(OCC1=CC2=C(C=CC=C2)C=C1)=O)C(OC(CBr)C(F)(F)F)=O