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2-[(1S)-3,3,3-trichloro-1-(4-methoxyphenyl)propoxy]adamantane
SpectraBase Compound ID BNL6kTzoTHd
InChI InChI=1S/C20H25Cl3O2/c1-24-17-4-2-14(3-5-17)18(11-20(21,22)23)25-19-15-7-12-6-13(9-15)10-16(19)8-12/h2-5,12-13,15-16,18-19H,6-11H2,1H3/t12-,13+,15-,16+,18-,19?/m0/s1
InChIKey UJHNQYREPKJKJT-NPNMIGKZSA-N
Mol Weight 403.78 g/mol
Molecular Formula C20H25Cl3O2
Exact Mass 402.092013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdJfHeKs7FK
Name 2-[(1S)-3,3,3-trichloro-1-(4-methoxyphenyl)propoxy]adamantane
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Formula C20H25Cl3O2
InChI InChI=1S/C20H25Cl3O2/c1-24-17-4-2-14(3-5-17)18(11-20(21,22)23)25-19-15-7-12-6-13(9-15)10-16(19)8-12/h2-5,12-13,15-16,18-19H,6-11H2,1H3/t12-,13+,15-,16+,18-,19?/m0/s1
InChIKey UJHNQYREPKJKJT-NPNMIGKZSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 403.777 g/mol
SMILES c1cc(ccc1OC)[C@@](OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])(CC(Cl)(Cl)Cl)[H]
SPLASH splash10-0079-0940000000-fab4e5214aeb2f1f3472
Source of Spectrum CN112778068A
Wiley ID 1879854