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2-Octyl .alpha.-[1-(9-anthryl)-2,2,2-trifluoroethoxy]acetate
SpectraBase Compound ID C2kVoaTzm5
InChI InChI=1S/C26H29F3O3/c1-3-4-5-6-11-18(2)32-23(30)17-31-25(26(27,28)29)24-21-14-9-7-12-19(21)16-20-13-8-10-15-22(20)24/h7-10,12-16,18,25H,3-6,11,17H2,1-2H3
InChIKey CGWQWYNFZDDRSG-UHFFFAOYSA-N
Mol Weight 446.51 g/mol
Molecular Formula C26H29F3O3
Exact Mass 446.206879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPPMfQ5x0QX
Name 2-Octyl .alpha.-[1-(9-anthryl)-2,2,2-trifluoroethoxy]acetate
Alternate Name(s) 1-Methylheptyl[1-(9-anthryl)-2,2,2-trifluoroethoxy]acetate
CAS Registry Number 77507-31-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29F3O3
InChI InChI=1S/C26H29F3O3/c1-3-4-5-6-11-18(2)32-23(30)17-31-25(26(27,28)29)24-21-14-9-7-12-19(21)16-20-13-8-10-15-22(20)24/h7-10,12-16,18,25H,3-6,11,17H2,1-2H3
InChIKey CGWQWYNFZDDRSG-UHFFFAOYSA-N
Molecular Weight 446.510 g/mol
SMILES c1(C(C(F)(F)F)OCC(=O)OC(CCCCCC)C)c2c(cccc2)cc2c1cccc2
SPLASH splash10-0a6r-9004100000-eadc856d26028b57d045
Source of Spectrum J-46-3244-0
Wiley ID 1386691