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Benzeneacetic acid, .alpha.-methoxy-.alpha.-(trifluoromethyl)-, (3-formyl-5,6-bis(methylene)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)methyl ester, [1R-[1.alpha.,2(S*),4.alpha.]]-
SpectraBase Compound ID 32jMo8bMzl3
InChI InChI=1S/C20H17F3O5/c1-11-12(2)17-15(14(9-24)16(11)28-17)10-27-18(25)19(26-3,20(21,22)23)13-7-5-4-6-8-13/h4-9,16-17H,1-2,10H2,3H3
InChIKey XIBNHSNCSKJONS-UHFFFAOYSA-N
Mol Weight 394.35 g/mol
Molecular Formula C20H17F3O5
Exact Mass 394.102808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dlKgiW4vz7
Name Benzeneacetic acid, .alpha.-methoxy-.alpha.-(trifluoromethyl)-, (3-formyl-5,6-bis(methylene)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)methyl ester, [1R-[1.alpha.,2(S*),4.alpha.]]-
CAS Registry Number 82777-92-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17F3O5
InChI InChI=1S/C20H17F3O5/c1-11-12(2)17-15(14(9-24)16(11)28-17)10-27-18(25)19(26-3,20(21,22)23)13-7-5-4-6-8-13/h4-9,16-17H,1-2,10H2,3H3
InChIKey XIBNHSNCSKJONS-UHFFFAOYSA-N
Molecular Weight 394.346 g/mol
SMILES C1(=C(C2OC1C(C2=C)=C)C=O)COC(C(C(F)(F)F)(c1ccccc1)OC)=O
SPLASH splash10-0570-8900000000-5d9be8d01951f585000e
Source of Spectrum H-65-894-0
Synonyms (3-formyl-5,6-dimethylene-7-oxabicyclo[2.2.1]hept-2-en-2-yl)methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate 3-[(.alpha.-methoxy-.alpha.-phenyl-.alpha.-(trifluoromethyl)acetoxy)methyl]-5,6-dimethylidene-7-oxabicyclo[2.2.1]hept-2-ene-2-carbaldehyde 7-Oxabicyclo[2.2.1]heptane, benzeneacetic acid deriv.
Wiley ID 1366554