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2,5-Dimethyl-2-(phenylthio)hexanal
SpectraBase Compound ID 9HkZ4DxRKxu
InChI InChI=1S/C14H20OS/c1-12(2)9-10-14(3,11-15)16-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
InChIKey REHJQAGHBIHEDL-UHFFFAOYSA-N
Mol Weight 236.37 g/mol
Molecular Formula C14H20OS
Exact Mass 236.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ab71FuYFIIj
Name 2,5-Dimethyl-2-(phenylthio)hexanal
Alternate Name(s) 2,5-Dimethyl-2-phenylsulfanyl-hexanal 2,5-Dimethyl-2-phenylsulfanylhexanal
CAS Registry Number 66164-81-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20OS
InChI InChI=1S/C14H20OS/c1-12(2)9-10-14(3,11-15)16-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
InChIKey REHJQAGHBIHEDL-UHFFFAOYSA-N
Molecular Weight 236.373 g/mol
SMILES C(Sc1ccccc1)(C=O)(CCC(C)C)C
SPLASH splash10-014i-2900000000-b08385d7f9c4c99fee85
Source of Spectrum KC-0-539-15
Wiley ID 830037