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(+)-(1S,5S,6R)-5-O-[(4-Fluorophenoxy)thiocarbonyl]-2,2,6-trimethyl-3-oxabicyclo[4.2.0]octane
SpectraBase Compound ID 8fTkJaYWfoe
InChI InChI=1S/C17H21FO3S/c1-16(2)13-8-9-17(13,3)14(10-19-16)21-15(22)20-12-6-4-11(18)5-7-12/h4-7,13-14H,8-10H2,1-3H3/t13-,14-,17-/m1/s1
InChIKey ODXCLHNJBPPEHM-CKEIUWERSA-N
Mol Weight 324.41 g/mol
Molecular Formula C17H21FO3S
Exact Mass 324.119544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdnG00h1VpP
Name (+)-(1S,5S,6R)-5-O-[(4-Fluorophenoxy)thiocarbonyl]-2,2,6-trimethyl-3-oxabicyclo[4.2.0]octane
Alternate Name(s) O-(4-fluorophenyl) O-[(1S,5S,6R)-2,2,6-trimethyl-3-oxabicyclo[4.2.0]oct-5-yl]thiocarbonate
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Formula C17H21FO3S
InChI InChI=1S/C17H21FO3S/c1-16(2)13-8-9-17(13,3)14(10-19-16)21-15(22)20-12-6-4-11(18)5-7-12/h4-7,13-14H,8-10H2,1-3H3/t13-,14-,17-/m1/s1
InChIKey ODXCLHNJBPPEHM-CKEIUWERSA-N
Molecular Weight 324.410 g/mol
SMILES [C@@]12([C@](C(C)(C)OC[C@]2(OC(=S)Oc2ccc(cc2)F)[H])([H])CC1)C
SPLASH splash10-002b-9000000000-423aad107b31fb0f5ed8
Source of Spectrum F-52-1288-21
Wiley ID 794872