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1-methoxy-4-[(1S)-3,3,3-trichloro-1-ethoxy-2-methyl-propyl]benzene
SpectraBase Compound ID Jg901PdaSvy
InChI InChI=1S/C13H17Cl3O2/c1-4-18-12(9(2)13(14,15)16)10-5-7-11(17-3)8-6-10/h5-9,12H,4H2,1-3H3/t9?,12-/m0/s1
InChIKey IWJYPNCBMDOYSJ-ACGXKRRESA-N
Mol Weight 311.64 g/mol
Molecular Formula C13H17Cl3O2
Exact Mass 310.029413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNqrsqAJGdg
Name 1-methoxy-4-[(1S)-3,3,3-trichloro-1-ethoxy-2-methyl-propyl]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17Cl3O2
InChI InChI=1S/C13H17Cl3O2/c1-4-18-12(9(2)13(14,15)16)10-5-7-11(17-3)8-6-10/h5-9,12H,4H2,1-3H3/t9?,12-/m0/s1
InChIKey IWJYPNCBMDOYSJ-ACGXKRRESA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 311.636 g/mol
SMILES c1([C@@](OCC)(C(C(Cl)(Cl)Cl)C)[H])ccc(cc1)OC
SPLASH splash10-00kr-0900000000-543ea16e54b0a1acb332
Source of Spectrum CN112778068A
Wiley ID 1879884