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Tri-o-heptafluorobutanoyl derivative of Terbutaline

View entire compound with spectra: 1 MS (GC)

Tri-o-heptafluorobutanoyl derivative of Terbutaline
SpectraBase Compound ID BEGdhlWoSCT
InChI InChI=1S/C24H16F21NO6/c1-15(2,3)46-7-11(52-14(49)18(29,30)21(35,36)24(43,44)45)8-4-9(50-12(47)16(25,26)19(31,32)22(37,38)39)6-10(5-8)51-13(48)17(27,28)20(33,34)23(40,41)42/h4-6,11,46H,7H2,1-3H3
InChIKey PFXDXDKBOYVMFQ-UHFFFAOYSA-N
Mol Weight 813.36 g/mol
Molecular Formula C24H16F21NO6
Exact Mass 813.064229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJAwTM00oo6
Name Tri-o-heptafluorobutanoyl derivative of Terbutaline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H16F21NO6
InChI InChI=1S/C24H16F21NO6/c1-15(2,3)46-7-11(52-14(49)18(29,30)21(35,36)24(43,44)45)8-4-9(50-12(47)16(25,26)19(31,32)22(37,38)39)6-10(5-8)51-13(48)17(27,28)20(33,34)23(40,41)42/h4-6,11,46H,7H2,1-3H3
InChIKey PFXDXDKBOYVMFQ-UHFFFAOYSA-N
Molecular Weight 813.359 g/mol
SMILES N(CC(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)c1cc(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)cc(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)c1)C(C)(C)C
SPLASH splash10-0a4i-9000000000-9cfce38e0e54f69d2cf3
Source of Spectrum KO-6-32-1
Synonyms 1-{3,5-bis[(2,2,3,3,4,4,4-heptafluorobutanoyl)oxy]phenyl}-2-(tert-butylamino)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
Wiley ID 1417354