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1-methylsulfanyl-4-[(1S)-3,3,3-trichloro-1-ethoxy-1-methyl-propyl]benzene
SpectraBase Compound ID EDt9F8bMgUh
InChI InChI=1S/C13H17Cl3OS/c1-4-17-12(2,9-13(14,15)16)10-5-7-11(18-3)8-6-10/h5-8H,4,9H2,1-3H3/t12-/m0/s1
InChIKey ZUECCXZLVHPMAY-LBPRGKRZSA-N
Mol Weight 327.7 g/mol
Molecular Formula C13H17Cl3OS
Exact Mass 326.006569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HmGpbfoEe7h
Name 1-methylsulfanyl-4-[(1S)-3,3,3-trichloro-1-ethoxy-1-methyl-propyl]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17Cl3OS
InChI InChI=1S/C13H17Cl3OS/c1-4-17-12(2,9-13(14,15)16)10-5-7-11(18-3)8-6-10/h5-8H,4,9H2,1-3H3/t12-/m0/s1
InChIKey ZUECCXZLVHPMAY-LBPRGKRZSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 327.697 g/mol
SMILES c1([C@@](OCC)(CC(Cl)(Cl)Cl)C)ccc(cc1)SC
SPLASH splash10-0002-0900000000-256fb3a3b850ed517516
Source of Spectrum CN112778068A
Wiley ID 1879875