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(S,E)-ethyl 4,4,4-trifluoro-3-((1-hydroxy-3-phenylpropan-2-yl)(methyl)amino)but-2-enoate

View entire compound with spectra: 1 MS (GC)

(S,E)-ethyl 4,4,4-trifluoro-3-((1-hydroxy-3-phenylpropan-2-yl)(methyl)amino)but-2-enoate
SpectraBase Compound ID 50QNP9NmIDU
InChI InChI=1S/C16H20F3NO3/c1-3-23-15(22)10-14(16(17,18)19)20(2)13(11-21)9-12-7-5-4-6-8-12/h4-8,10,13,21H,3,9,11H2,1-2H3/b14-10+/t13-/m0/s1
InChIKey KLHFURNVXBITEY-LFGHMXSPSA-N
Mol Weight 331.34 g/mol
Molecular Formula C16H20F3NO3
Exact Mass 331.139528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fjp04blqq3C
Name (S,E)-ethyl 4,4,4-trifluoro-3-((1-hydroxy-3-phenylpropan-2-yl)(methyl)amino)but-2-enoate
Alternate Name(s) Ethyl (S,E)-4,4,4-trifluoro-3-((1-hydroxy-3-phenylpropan-2-yl)(methyl)amino)but-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20F3NO3
InChI InChI=1S/C16H20F3NO3/c1-3-23-15(22)10-14(16(17,18)19)20(2)13(11-21)9-12-7-5-4-6-8-12/h4-8,10,13,21H,3,9,11H2,1-2H3/b14-10+/t13-/m0/s1
InChIKey KLHFURNVXBITEY-LFGHMXSPSA-N
Literature Reference DOI 10.1002/hlca.200390071
Molecular Weight 331.335 g/mol
SMILES OC[C@](Cc1ccccc1)(N(C)\C(C(F)(F)F)=C/C(=O)OCC)[H]
SPLASH splash10-0udm-9731000000-d8a9e0fbfa9b5e0e5035
Source of Spectrum H-86-731-2m
Wiley ID 1785358