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Succinic acid, pentafluorobenzyl undecyl ester

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Succinic acid, pentafluorobenzyl undecyl ester
SpectraBase Compound ID 3jcTXLucJIt
InChI InChI=1S/C22H29F5O4/c1-2-3-4-5-6-7-8-9-10-13-30-16(28)11-12-17(29)31-14-15-18(23)20(25)22(27)21(26)19(15)24/h2-14H2,1H3
InChIKey WKWBTXUBSOBCTA-UHFFFAOYSA-N
Mol Weight 452.46 g/mol
Molecular Formula C22H29F5O4
Exact Mass 452.1986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CYVNAI8t6gg
Name Succinic acid, pentafluorobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.198600225 u
Formula C22H29F5O4
InChI InChI=1S/C22H29F5O4/c1-2-3-4-5-6-7-8-9-10-13-30-16(28)11-12-17(29)31-14-15-18(23)20(25)22(27)21(26)19(15)24/h2-14H2,1H3
InChIKey WKWBTXUBSOBCTA-UHFFFAOYSA-N
Molecular Weight 452.462 g/mol
SMILES C(COC(CCC(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)=O)CCCCCCCCC