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(1S,4S)-dimethyl 4-(diethoxyphosphoryl)-3-(trifluoromethyl)cyclobut-2-ene-1,2-dicarboxylate
SpectraBase Compound ID AbqtotMrCvK
InChI InChI=1S/C13H18F3O7P/c1-5-22-24(19,23-6-2)10-8(12(18)21-4)7(11(17)20-3)9(10)13(14,15)16/h8,10H,5-6H2,1-4H3/t8-,10+/m1/s1
InChIKey GVUKYGPJEUMUHK-SCZZXKLOSA-N
Mol Weight 374.25 g/mol
Molecular Formula C13H18F3O7P
Exact Mass 374.074224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0U0twJ75VP
Name (1S,4S)-dimethyl 4-(diethoxyphosphoryl)-3-(trifluoromethyl)cyclobut-2-ene-1,2-dicarboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18F3O7P
InChI InChI=1S/C13H18F3O7P/c1-5-22-24(19,23-6-2)10-8(12(18)21-4)7(11(17)20-3)9(10)13(14,15)16/h8,10H,5-6H2,1-4H3/t8-,10+/m1/s1
InChIKey GVUKYGPJEUMUHK-SCZZXKLOSA-N
Literature Reference DOI 10.1002/hc.21101
Molecular Weight 374.249 g/mol
SMILES C=1([C@]([C@@](C1C(OC)=O)(C(OC)=O)[H])(P(OCC)(=O)OCC)[H])C(F)(F)F
SPLASH splash10-000l-3093000000-66169f6eaabed8d48487
Source of Spectrum HAC-24-440-6
Wiley ID 1776234