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Butanoic acid, heptafluoro-, 3,3-bis(chlorodifluoromethyl)tetrahydro-1-oxo-1H,3H-pyrrolo[1,2-c]oxa zol-6-yl ester
SpectraBase Compound ID 1gQqHnR9EIu
InChI InChI=1S/C12H6Cl2F11NO4/c13-10(19,20)9(11(14,21)22)26-2-3(1-4(26)5(27)30-9)29-6(28)7(15,16)8(17,18)12(23,24)25/h3-4H,1-2H2
InChIKey WTFDAUQXZGJSPN-UHFFFAOYSA-N
Mol Weight 508.07 g/mol
Molecular Formula C12H6Cl2F11NO4
Exact Mass 506.949823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2N7QbF44ilW
Name Butanoic acid, heptafluoro-, 3,3-bis(chlorodifluoromethyl)tetrahydro-1-oxo-1H,3H-pyrrolo[1,2-c]oxa zol-6-yl ester
Alternate Name(s) 1H,3H-pyrrolo[1,2-c]oxazole, butanoic acid deriv. 3,3-bis[chloro(difluoro)methyl]-1-oxotetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl 2,2,3,3,4,4,4-heptafluorobutanoate 4,4-bis(chlorodifluoromethyl)-7-(1-oxoheptafluorobutoxy)-3-oxa-5-azabicyclo[3.3.0]octan-2-one
CAS Registry Number 73997-93-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6Cl2F11NO4
InChI InChI=1S/C12H6Cl2F11NO4/c13-10(19,20)9(11(14,21)22)26-2-3(1-4(26)5(27)30-9)29-6(28)7(15,16)8(17,18)12(23,24)25/h3-4H,1-2H2
InChIKey WTFDAUQXZGJSPN-UHFFFAOYSA-N
Molecular Weight 508.071 g/mol
SMILES C1(N2C(CC(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)C2)C(O1)=O)(C(F)(Cl)F)C(F)(F)Cl
SPLASH splash10-00lr-8910000000-d97764469ba6da684938
Source of Spectrum KO-6-388-23
Wiley ID 1399990