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

*Links on SpectraBase are not permalinks.
(E)-3-[2-(tert-butoxycarbonylamino)-5-(trifluoromethyl)phenyl]-4,4,4-trifluoro-but-2-enoic acid ethyl ester
SpectraBase Compound ID 33j8j6Qqs0b
InChI InChI=1S/C18H19F6NO4/c1-5-28-14(26)9-12(18(22,23)24)11-8-10(17(19,20)21)6-7-13(11)25-15(27)29-16(2,3)4/h6-9H,5H2,1-4H3,(H,25,27)/b12-9+
InChIKey LUDSOKICYOIMCU-FMIVXFBMSA-N
Mol Weight 427.34 g/mol
Molecular Formula C18H19F6NO4
Exact Mass 427.121827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 8swAOdOEa5L
Name (E)-3-[2-(tert-butoxycarbonylamino)-5-(trifluoromethyl)phenyl]-4,4,4-trifluoro-but-2-enoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19F6NO4
InChI InChI=1S/C18H19F6NO4/c1-5-28-14(26)9-12(18(22,23)24)11-8-10(17(19,20)21)6-7-13(11)25-15(27)29-16(2,3)4/h6-9H,5H2,1-4H3,(H,25,27)/b12-9+
InChIKey LUDSOKICYOIMCU-FMIVXFBMSA-N
Molecular Weight 427.343 g/mol
SMILES N(C(OC(C)(C)C)=O)c1c(\C(C(F)(F)F)=C/C(=O)OCC)cc(C(F)(F)F)cc1
SPLASH splash10-0a59-9071000000-a214f3835a15be45d616
Source of Spectrum K1-0-3149-2
Synonyms (E)-4,4,4-trifluoro-3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(trifluoromethyl)phenyl]-2-butenoic acid ethyl ester Ethyl (E)-3-[2-(tert-butoxycarbonylamino)-5-(trifluoromethyl)phenyl]-4,4,4-trifluoro-but-2-enoate Ethyl (E)-4,4,4-trifluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)phenyl]but-2-enoate Ethyl (E)-4,4,4-tris(fluoranyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)phenyl]but-2-enoate
Wiley ID 1589134