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Sinapic acid, 1,1,1-trifluoro-2-propyl ester
SpectraBase Compound ID AeERqxrKrjR
InChI InChI=1S/C14H15F3O5/c1-8(14(15,16)17)22-12(18)5-4-9-6-10(20-2)13(19)11(7-9)21-3/h4-8,19H,1-3H3/b5-4+
InChIKey JSJMMBZOCMBWEJ-SNAWJCMRSA-N
Mol Weight 320.26 g/mol
Molecular Formula C14H15F3O5
Exact Mass 320.087158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 87EBCX49Rcl
Name Sinapic acid, 1,1,1-trifluoro-2-propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.087158067 u
Formula C14H15F3O5
InChI InChI=1S/C14H15F3O5/c1-8(14(15,16)17)22-12(18)5-4-9-6-10(20-2)13(19)11(7-9)21-3/h4-8,19H,1-3H3/b5-4+
InChIKey JSJMMBZOCMBWEJ-SNAWJCMRSA-N
Molecular Weight 320.264 g/mol
SMILES C1(=C(C(=CC(=C1)\C=C\C(=O)OC(C(F)(F)F)C)OC)O)OC