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1-methylsulfanyl-4-[(1S)-3,3,3-trichloro-1-ethoxy-propyl]benzene
SpectraBase Compound ID H12GAcjWU6J
InChI InChI=1S/C12H15Cl3OS/c1-3-16-11(8-12(13,14)15)9-4-6-10(17-2)7-5-9/h4-7,11H,3,8H2,1-2H3/t11-/m0/s1
InChIKey OCXMJXAXVRHCKY-NSHDSACASA-N
Mol Weight 313.67 g/mol
Molecular Formula C12H15Cl3OS
Exact Mass 311.990919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNQG6CTgeYf
Name 1-methylsulfanyl-4-[(1S)-3,3,3-trichloro-1-ethoxy-propyl]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15Cl3OS
InChI InChI=1S/C12H15Cl3OS/c1-3-16-11(8-12(13,14)15)9-4-6-10(17-2)7-5-9/h4-7,11H,3,8H2,1-2H3/t11-/m0/s1
InChIKey OCXMJXAXVRHCKY-NSHDSACASA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 313.670 g/mol
SMILES c1cc(ccc1SC)[C@@](OCC)(CC(Cl)(Cl)Cl)[H]
SPLASH splash10-0f89-0900000000-fc9584ac353ec753d108
Source of Spectrum CN112778068A
Wiley ID 1879866