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4-(2-(N-ethyl-2,2,2-trifluoroacetamido)propanoyl)-2-methoxyphenyl 2,2,2-trifluoroacetate
SpectraBase Compound ID 4NYWmwrNjY1
InChI InChI=1S/C16H15F6NO5/c1-4-23(13(25)15(17,18)19)8(2)12(24)9-5-6-10(11(7-9)27-3)28-14(26)16(20,21)22/h5-8H,4H2,1-3H3
InChIKey WFJJUBPDLGNGSU-UHFFFAOYSA-N
Mol Weight 415.29 g/mol
Molecular Formula C16H15F6NO5
Exact Mass 415.085442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3grgxUqAXt3
Name 4-(2-(N-ethyl-2,2,2-trifluoroacetamido)propanoyl)-2-methoxyphenyl 2,2,2-trifluoroacetate
Alternate Name(s) 4-(N-ethyl-N-(2,2,2-trifluoroacetyl)alanyl)-2-methoxyphenyl 2,2,2-trifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15F6NO5
InChI InChI=1S/C16H15F6NO5/c1-4-23(13(25)15(17,18)19)8(2)12(24)9-5-6-10(11(7-9)27-3)28-14(26)16(20,21)22/h5-8H,4H2,1-3H3
InChIKey WFJJUBPDLGNGSU-UHFFFAOYSA-N
Molecular Weight 415.288 g/mol
SMILES c1(c(ccc(c1)C(C(N(CC)C(=O)C(F)(F)F)C)=O)OC(=O)C(F)(F)F)OC
SPLASH splash10-014j-4950000000-952ea83bf9133f262076
Source of Spectrum Kei Zaitsu, et al. Forensic Science International, V.188, 2009, P.131-139
Wiley ID 1817037