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Succinic acid, tridec-2-yn-1-yl 1-bromo-3,3,3-trifluoroprop-2-yl ester

View entire compound with spectra: 1 NMR

Succinic acid, tridec-2-yn-1-yl 1-bromo-3,3,3-trifluoroprop-2-yl ester
SpectraBase Compound ID BvH13E8EFDI
InChI InChI=1S/C20H30BrF3O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-27-18(25)13-14-19(26)28-17(16-21)20(22,23)24/h17H,2-10,13-16H2,1H3
InChIKey RQLHKFVRZOOXKV-UHFFFAOYSA-N
Mol Weight 471.36 g/mol
Molecular Formula C20H30BrF3O4
Exact Mass 470.127957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6r9ULuDX4c7
Name Succinic acid, tridec-2-yn-1-yl 1-bromo-3,3,3-trifluoroprop-2-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.127956931 u
Formula C20H30BrF3O4
InChI InChI=1S/C20H30BrF3O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-27-18(25)13-14-19(26)28-17(16-21)20(22,23)24/h17H,2-10,13-16H2,1H3
InChIKey RQLHKFVRZOOXKV-UHFFFAOYSA-N
Molecular Weight 471.355 g/mol
SMILES C(CC(OCC#CCCCCCCCCCC)=O)C(OC(CBr)C(F)(F)F)=O