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Tert-butyl (Z)-4,4,4-trifluoro-3-methyl-2-butenoate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Tert-butyl (Z)-4,4,4-trifluoro-3-methyl-2-butenoate
SpectraBase Compound ID JSFGqC9uZa4
InChI InChI=1S/C9H13F3O2/c1-6(9(10,11)12)5-7(13)14-8(2,3)4/h5H,1-4H3/b6-5-
InChIKey RRZWCHPWWOSQHJ-WAYWQWQTSA-N
Mol Weight 210.2 g/mol
Molecular Formula C9H13F3O2
Exact Mass 210.086764 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H0pkX058koa
Name Tert-butyl (Z)-4,4,4-trifluoro-3-methyl-2-butenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.086764146 u
Formula C9H13F3O2
InChI InChI=1S/C9H13F3O2/c1-6(9(10,11)12)5-7(13)14-8(2,3)4/h5H,1-4H3/b6-5-
InChIKey RRZWCHPWWOSQHJ-WAYWQWQTSA-N
Molecular Weight 210.196 g/mol
SMILES C(\C(=C/C(OC(C)(C)C)=O)C)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916008