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1-Phenylethyl .alpha.-[1-(9-anthryl)-2,2,2-trifluoroethoxy]thioacetate
SpectraBase Compound ID EoNrSKVV8Mo
InChI InChI=1S/C26H21F3O2S/c1-17(18-9-3-2-4-10-18)31-23(32)16-30-25(26(27,28)29)24-21-13-7-5-11-19(21)15-20-12-6-8-14-22(20)24/h2-15,17,25H,16H2,1H3
InChIKey LNXBVAWUGPBTNF-UHFFFAOYSA-N
Mol Weight 454.51 g/mol
Molecular Formula C26H21F3O2S
Exact Mass 454.121436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChTwt5PnLNl
Name 1-Phenylethyl .alpha.-[1-(9-anthryl)-2,2,2-trifluoroethoxy]thioacetate
Alternate Name(s) O-(1-phenylethyl)[1-(9-anthryl)-2,2,2-trifluoroethoxy]ethanethioate
CAS Registry Number 77507-39-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21F3O2S
InChI InChI=1S/C26H21F3O2S/c1-17(18-9-3-2-4-10-18)31-23(32)16-30-25(26(27,28)29)24-21-13-7-5-11-19(21)15-20-12-6-8-14-22(20)24/h2-15,17,25H,16H2,1H3
InChIKey LNXBVAWUGPBTNF-UHFFFAOYSA-N
Molecular Weight 454.507 g/mol
SMILES c1(C(C(F)(F)F)OCC(OC(c2ccccc2)C)=S)c2c(cccc2)cc2c1cccc2
SPLASH splash10-0a4i-2910100000-afcd62f5daac50ece57b
Source of Spectrum J-46-3245-0
Wiley ID 1388784