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Pent-1-yn-3-yl .alpha.-[1-(9-anthryl)-2,2,2-trifluoroethoxy]acetate
SpectraBase Compound ID 3OfnNDKSZxb
InChI InChI=1S/C23H19F3O3/c1-3-17(4-2)29-20(27)14-28-22(23(24,25)26)21-18-11-7-5-9-15(18)13-16-10-6-8-12-19(16)21/h1,5-13,17,22H,4,14H2,2H3
InChIKey IYIRCUCAJKNXKZ-UHFFFAOYSA-N
Mol Weight 400.4 g/mol
Molecular Formula C23H19F3O3
Exact Mass 400.128629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Z1AhtEVcVg
Name Pent-1-yn-3-yl .alpha.-[1-(9-anthryl)-2,2,2-trifluoroethoxy]acetate
Alternate Name(s) 1-Ethyl-2-propynyl[1-(9-anthryl)-2,2,2-trifluoroethoxy]acetate
CAS Registry Number 77520-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19F3O3
InChI InChI=1S/C23H19F3O3/c1-3-17(4-2)29-20(27)14-28-22(23(24,25)26)21-18-11-7-5-9-15(18)13-16-10-6-8-12-19(16)21/h1,5-13,17,22H,4,14H2,2H3
InChIKey IYIRCUCAJKNXKZ-UHFFFAOYSA-N
Molecular Weight 400.397 g/mol
SMILES c1(C(C(F)(F)F)OCC(OC(C#C)CC)=O)c2c(cccc2)cc2c1cccc2
SPLASH splash10-0a4l-9020000000-5736f221b60a5b9aa6e0
Source of Spectrum J-46-3245-0
Wiley ID 1369454