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Methyl 10-(heptafluorobutyryloxy)-11-methoxy-3,7,11-trimethyl-2,6-tridecadienoate stereoisomer I
SpectraBase Compound ID LdCa0dtIW16
InChI InChI=1S/C22H31F7O5/c1-7-19(4,33-6)16(34-18(31)20(23,24)21(25,26)22(27,28)29)12-11-14(2)9-8-10-15(3)13-17(30)32-5/h9,13,16H,7-8,10-12H2,1-6H3/b14-9+,15-13+
InChIKey RGRYOBHJRHNICJ-NNTZBSGJSA-N
Mol Weight 508.47 g/mol
Molecular Formula C22H31F7O5
Exact Mass 508.205971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DudLOgj8BEL
Name Methyl 10-(heptafluorobutyryloxy)-11-methoxy-3,7,11-trimethyl-2,6-tridecadienoate stereoisomer I
CAS Registry Number 71065-95-7
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Formula C22H31F7O5
InChI InChI=1S/C22H31F7O5/c1-7-19(4,33-6)16(34-18(31)20(23,24)21(25,26)22(27,28)29)12-11-14(2)9-8-10-15(3)13-17(30)32-5/h9,13,16H,7-8,10-12H2,1-6H3/b14-9+,15-13+
InChIKey RGRYOBHJRHNICJ-NNTZBSGJSA-N
Molecular Weight 508.474 g/mol
SMILES C(C(C(OC(C(OC)(CC)C)CC\C(=C\CC\C(=C\C(=O)OC)C)C)=O)(F)F)(C(F)(F)F)(F)F
SPLASH splash10-001a-9410000000-34f1620055c22de367cb
Source of Spectrum W5-1989-10105-1
Synonyms Methyl (2E,6E)-10-[(2,2,3,3,4,4,4-heptafluorobutanoyl)oxy]-11-methoxy-3,7,11-trimethyl-2,6-tridecadienoate
Wiley ID 1400105