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(+-)-r-1-Phenyl-1-isopropoxy-c-2-fluorobenzocycloheptane
SpectraBase Compound ID GAjNwu4SUOi
InChI InChI=1S/C20H23FO/c1-15(2)22-20(17-11-4-3-5-12-17)18-13-7-6-9-16(18)10-8-14-19(20)21/h3-7,9,11-13,15,19H,8,10,14H2,1-2H3/t19-,20-/m0/s1
InChIKey DBCMLAWDQPDYGL-PMACEKPBSA-N
Mol Weight 298.4 g/mol
Molecular Formula C20H23FO
Exact Mass 298.173294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4I1Vo38kxE
Name (+-)-r-1-Phenyl-1-isopropoxy-c-2-fluorobenzocycloheptane
Alternate Name(s) (+-)-r-Phenyl-1-i-propoxy-c-2-fluorobenzocycloheptane (5S,6S)-6-Fluoro-5-isopropoxy-5-phenyl-6,7,8,9-tetrahydro-5H-benzocycloheptene (5S,6S)-6-fluoro-5-isopropoxy-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[a]cycloheptene (5S,6S)-6-fluoro-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-yl isopropyl ether
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Formula C20H23FO
InChI InChI=1S/C20H23FO/c1-15(2)22-20(17-11-4-3-5-12-17)18-13-7-6-9-16(18)10-8-14-19(20)21/h3-7,9,11-13,15,19H,8,10,14H2,1-2H3/t19-,20-/m0/s1
InChIKey DBCMLAWDQPDYGL-PMACEKPBSA-N
Molecular Weight 298.401 g/mol
SMILES [C@]1(c2c(CCC[C@@]1(F)[H])cccc2)(OC(C)C)c1ccccc1
SPLASH splash10-0a4j-2690000000-51c2a4dbf27dfff95a7f
Source of Spectrum F-50-12243-7
Wiley ID 789853