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Pentafluorobenzyl abscisate
SpectraBase Compound ID JZpjCfS0txs
InChI InChI=1S/C22H21F5O4/c1-11(5-6-22(30)12(2)8-13(28)9-21(22,3)4)7-15(29)31-10-14-16(23)18(25)20(27)19(26)17(14)24/h5-8,30H,9-10H2,1-4H3/b6-5+,11-7+
InChIKey VYTRRGGAYUXKBB-LCAICKDSSA-N
Mol Weight 444.4 g/mol
Molecular Formula C22H21F5O4
Exact Mass 444.136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DayYAE5H6wM
Name Pentafluorobenzyl abscisate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21F5O4
InChI InChI=1S/C22H21F5O4/c1-11(5-6-22(30)12(2)8-13(28)9-21(22,3)4)7-15(29)31-10-14-16(23)18(25)20(27)19(26)17(14)24/h5-8,30H,9-10H2,1-4H3/b6-5+,11-7+
InChIKey VYTRRGGAYUXKBB-LCAICKDSSA-N
Molecular Weight 444.398 g/mol
SMILES OC1(\C=C\C(=C\C(OCc2c(c(F)c(c(c2F)F)F)F)=O)C)C(=CC(CC1(C)C)=O)C
SPLASH splash10-03di-0190000000-179471db0f4f2921666f
Source of Spectrum O-34-613-0
Synonyms 2,3,4,5,6-pentafluorobenzyl (2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoate Pentafluorobenzyl 5-[2',2',6'-trimethyl-4'-oxo-cyclohex-5'-enyl)-3-methylpent-2-enoate
Wiley ID 763389