For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Succinic acid, dodec-2-en-1-yl 1-bromo-3,3,3-trifluoroprop-2-yl ester

View entire compound with spectra: 1 NMR

Succinic acid, dodec-2-en-1-yl 1-bromo-3,3,3-trifluoroprop-2-yl ester
SpectraBase Compound ID 3dgA9WGkVl4
InChI InChI=1S/C19H30BrF3O4/c1-2-3-4-5-6-7-8-9-10-11-14-26-17(24)12-13-18(25)27-16(15-20)19(21,22)23/h10-11,16H,2-9,12-15H2,1H3/b11-10+
InChIKey GFDZYWQBXZVADT-ZHACJKMWSA-N
Mol Weight 459.34 g/mol
Molecular Formula C19H30BrF3O4
Exact Mass 458.127957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7J3YjgcP7N8
Name Succinic acid, dodec-2-en-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 458.127956931 u
Formula C19H30BrF3O4
InChI InChI=1S/C19H30BrF3O4/c1-2-3-4-5-6-7-8-9-10-11-14-26-17(24)12-13-18(25)27-16(15-20)19(21,22)23/h10-11,16H,2-9,12-15H2,1H3/b11-10+
InChIKey GFDZYWQBXZVADT-ZHACJKMWSA-N
Molecular Weight 459.344 g/mol
SMILES C(CC(OC\C=C\CCCCCCCCC)=O)C(OC(CBr)C(F)(F)F)=O