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(+-)-4,4-dimethyl-8-phenylsulfanyl-6.XI.-trifluoroacetoxy-(4ar,8at)-octahydronaphthalen-1-one ethane-1,2-diyl acetal
SpectraBase Compound ID 4vsYOFOmz3
InChI InChI=1S/C22H27F3O4S/c1-21(2)12-16-19(28-9-8-27-16)18-15(21)10-13(29-20(26)22(23,24)25)11-17(18)30-14-6-4-3-5-7-14/h3-7,13,15-19H,8-12H2,1-2H3
InChIKey YEZZHCJFEUDWMJ-UHFFFAOYSA-N
Mol Weight 444.51 g/mol
Molecular Formula C22H27F3O4S
Exact Mass 444.158215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzZmOOjSDdf
Name (+-)-4,4-dimethyl-8-phenylsulfanyl-6.XI.-trifluoroacetoxy-(4ar,8at)-octahydronaphthalen-1-one ethane-1,2-diyl acetal
CAS Registry Number 124094-19-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27F3O4S
InChI InChI=1S/C22H27F3O4S/c1-21(2)12-16-19(28-9-8-27-16)18-15(21)10-13(29-20(26)22(23,24)25)11-17(18)30-14-6-4-3-5-7-14/h3-7,13,15-19H,8-12H2,1-2H3
InChIKey YEZZHCJFEUDWMJ-UHFFFAOYSA-N
Molecular Weight 444.509 g/mol
SMILES C12C(C(C)(C)CC3C2OCCO3)CC(CC1Sc1ccccc1)OC(C(F)(F)F)=O
SPLASH splash10-000b-9008000000-bffb1e7defd9062cf19c
Source of Spectrum F-45-669-20
Synonyms 6,6-Dimethyl-10-(phenylsulfanyl)dodecahydronaphtho[1,2-b][1,4]dioxin-8-yl trifluoroacetate
Wiley ID 1385932