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(R)-(+)-Benzeneacetic acid , .alpha.-methoxy-.alpha.-(trifluoromethyl)-,6-[5-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methylhexyl ester
SpectraBase Compound ID 689eGMQ0Zw3
InChI InChI=1S/C26H35F3O7/c1-18(34-23(31)25(33-5,26(27,28)29)19-13-9-7-10-14-19)12-8-6-11-15-20-21(16-17-22(30)32-4)36-24(2,3)35-20/h7,9-10,13-14,16-18,20-21H,6,8,11-12,15H2,1-5H3/b17-16-/t18?,20?,21?,25-/m1/s1
InChIKey GPFGEMIIBUDOHX-XCSANSIOSA-N
Mol Weight 516.6 g/mol
Molecular Formula C26H35F3O7
Exact Mass 516.233488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ch0irImyeWv
Name (R)-(+)-Benzeneacetic acid , .alpha.-methoxy-.alpha.-(trifluoromethyl)-,6-[5-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methylhexyl ester
Alternate Name(s) Methyl (2Z)-3-[2,2-dimethyl-5-(6-{[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy}heptyl)-1,3-dioxolan-4-yl]-2-propenoate
CAS Registry Number 97949-77-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35F3O7
InChI InChI=1S/C26H35F3O7/c1-18(34-23(31)25(33-5,26(27,28)29)19-13-9-7-10-14-19)12-8-6-11-15-20-21(16-17-22(30)32-4)36-24(2,3)35-20/h7,9-10,13-14,16-18,20-21H,6,8,11-12,15H2,1-5H3/b17-16-/t18?,20?,21?,25-/m1/s1
InChIKey GPFGEMIIBUDOHX-XCSANSIOSA-N
Molecular Weight 516.554 g/mol
SMILES [C@@](C(OC(CCCCCC1OC(C)(C)OC1\C=C/C(=O)OC)C)=O)(C(F)(F)F)(c1ccccc1)OC
SPLASH splash10-0kbk-4920020000-f1b0b28f65c64f17be99
Source of Spectrum AJ-58-2147-4
Wiley ID 1401391