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1-methoxy-4-[(1S)-3,3,3-trichloro-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]propyl]benzene
SpectraBase Compound ID 2bUTpTy1s7E
InChI InChI=1S/C20H29Cl3O2/c1-13(2)17-10-5-14(3)11-18(17)25-19(12-20(21,22)23)15-6-8-16(24-4)9-7-15/h6-9,13-14,17-19H,5,10-12H2,1-4H3/t14-,17+,18-,19+/m1/s1
InChIKey FZGGZGUISQYROG-FDPIWHGQSA-N
Mol Weight 407.81 g/mol
Molecular Formula C20H29Cl3O2
Exact Mass 406.123313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LY3tFmnhDeS
Name 1-methoxy-4-[(1S)-3,3,3-trichloro-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]propyl]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29Cl3O2
InChI InChI=1S/C20H29Cl3O2/c1-13(2)17-10-5-14(3)11-18(17)25-19(12-20(21,22)23)15-6-8-16(24-4)9-7-15/h6-9,13-14,17-19H,5,10-12H2,1-4H3/t14-,17+,18-,19+/m1/s1
InChIKey FZGGZGUISQYROG-FDPIWHGQSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 407.809 g/mol
SMILES c1cc(ccc1OC)[C@@](O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])(CC(Cl)(Cl)Cl)[H]
SPLASH splash10-000i-0920000000-aa55945437aeb92ec3ce
Source of Spectrum CN112778068A
Wiley ID 1879853