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object
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_id
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PYPkLI6nfp
spectrumID
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PYPkLI6nfp
cost
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1
specType
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131072
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WMS3X:583944:1
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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1,3-Diethyl 2-[1,1,1,3,3,3-hexafluoro-2-({[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}amino)propan-2-yl]propanedioate
SpectraBase Compound ID 2rzoFxTZ4Qd
InChI InChI=1S/C19H19F9N2O6/c1-4-35-13(31)12(14(32)36-5-2)16(18(23,24)25,19(26,27)28)30-15(33)29-10-8-9(17(20,21)22)6-7-11(10)34-3/h6-8,12H,4-5H2,1-3H3,(H2,29,30,33)
InChIKey PAGRKQQWQGUZBZ-UHFFFAOYSA-N
Mol Weight 542.35 g/mol
Molecular Formula C19H19F9N2O6
Exact Mass 542.10994 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PYPkLI6nfp
Name 1,3-Diethyl 2-[1,1,1,3,3,3-hexafluoro-2-({[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}amino)propan-2-yl]propanedioate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19F9N2O6
InChI InChI=1S/C19H19F9N2O6/c1-4-35-13(31)12(14(32)36-5-2)16(18(23,24)25,19(26,27)28)30-15(33)29-10-8-9(17(20,21)22)6-7-11(10)34-3/h6-8,12H,4-5H2,1-3H3,(H2,29,30,33)
InChIKey PAGRKQQWQGUZBZ-UHFFFAOYSA-N
Molecular Weight 542.355 g/mol
SMILES N(C(C(F)(F)F)(C(F)(F)F)C(C(OCC)=O)C(OCC)=O)C(=O)Nc1c(ccc(c1)C(F)(F)F)OC
SPLASH splash10-0006-0922000000-04a3c4b1b91c4a4fc544
Source of Spectrum IY-2-5042-7
Synonyms Propanedioic acid, 2-[2,2,2-trifluoro-1-[[[[2-methoxy-5-(trifluoromethyl)phenyl]amino]carbonyl]amino]-1-(trifluoromethyl)ethyl]-, diethyl ester 2-[1,1,1,3,3,3-hexafluoro-2-[[[2-methoxy-5-(trifluoromethyl)anilino]-oxomethyl]amino]propan-2-yl]propanedioic acid diethyl ester Diethyl 2-[1,1,1,3,3,3-hexafluoro-2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]propan-2-yl]propanedioate Diethyl 2-[2,2,2-trifluoro-1-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-1-(trifluoromethyl)ethyl]propanedioate Diethyl 2-[1,1,1,3,3,3-hexakis(fluoranyl)-2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]propan-2-yl]propanedioate
Wiley ID 1658410
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