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Ethyl 4,4,4-trifluoro-3-[((R)-1'-<hydroxymethyl>-3'-methylbutyl)methylamino]-but-2-enoate
SpectraBase Compound ID FY2aSNO1ipI
InChI InChI=1S/C13H22F3NO3/c1-5-20-12(19)7-11(13(14,15)16)17(4)10(8-18)6-9(2)3/h7,9-10,18H,5-6,8H2,1-4H3/b11-7-/t10-/m1/s1
InChIKey JOFRCFWOKYBDMF-PAKSIRSJSA-N
Mol Weight 297.32 g/mol
Molecular Formula C13H22F3NO3
Exact Mass 297.155178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Leq9CkhXOoK
Name Ethyl 4,4,4-trifluoro-3-[((R)-1'--3'-methylbutyl)methylamino]-but-2-enoate
Alternate Name(s) Ethyl (2Z)-4,4,4-trifluoro-3-[[(1R)-1-(hydroxymethyl)-3-methylbutyl](methyl)amino]-2-butenoate Ethyl 4,4,4-trifluoro-3-[(1'--3'-methylbutyl)methylamino]-but-2-enoate
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Formula C13H22F3NO3
InChI InChI=1S/C13H22F3NO3/c1-5-20-12(19)7-11(13(14,15)16)17(4)10(8-18)6-9(2)3/h7,9-10,18H,5-6,8H2,1-4H3/b11-7-/t10-/m1/s1
InChIKey JOFRCFWOKYBDMF-PAKSIRSJSA-N
Molecular Weight 297.318 g/mol
SMILES OC[C@](N(\C(=C/C(=O)OCC)C(F)(F)F)C)(CC(C)C)[H]
SPLASH splash10-0f96-9480000000-e4d24e7c3e8ad48028eb
Source of Spectrum H-86-731-2
Wiley ID 1525319