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3,4-Dihydroxyhydrocinnamic acid, o,o'-bis(pentafluoropropionyl)-, 1,1,1-trifluoro-2-propyl ester
SpectraBase Compound ID KOJX9QVwMBN
InChI InChI=1S/C18H11F13O6/c1-7(16(23,24)25)35-11(32)5-3-8-2-4-9(36-12(33)14(19,20)17(26,27)28)10(6-8)37-13(34)15(21,22)18(29,30)31/h2,4,6-7H,3,5H2,1H3
InChIKey PNVZYOHUJVDXPW-UHFFFAOYSA-N
Mol Weight 570.26 g/mol
Molecular Formula C18H11F13O6
Exact Mass 570.034804 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 20CXOMusH9E
Name 3,4-Dihydroxyhydrocinnamic acid, o,o'-bis(pentafluoropropionyl)-, 1,1,1-trifluoro-2-propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 570.034804187 u
Formula C18H11F13O6
InChI InChI=1S/C18H11F13O6/c1-7(16(23,24)25)35-11(32)5-3-8-2-4-9(36-12(33)14(19,20)17(26,27)28)10(6-8)37-13(34)15(21,22)18(29,30)31/h2,4,6-7H,3,5H2,1H3
InChIKey PNVZYOHUJVDXPW-UHFFFAOYSA-N
Molecular Weight 570.259 g/mol
SMILES C1(=C(C=CC(=C1)CCC(=O)OC(C(F)(F)F)C)OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929472