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5-Methoxy-2,2-dimethyl-6-(phenylthio)-3-heptanone
SpectraBase Compound ID D62mqg1TBBh
InChI InChI=1S/C16H24O2S/c1-12(19-13-9-7-6-8-10-13)14(18-5)11-15(17)16(2,3)4/h6-10,12,14H,11H2,1-5H3
InChIKey LWVDMCOTTMWEGU-UHFFFAOYSA-N
Mol Weight 280.43 g/mol
Molecular Formula C16H24O2S
Exact Mass 280.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzvmKYnN6zA
Name 5-Methoxy-2,2-dimethyl-6-(phenylthio)-3-heptanone
Alternate Name(s) 5-Methoxy-2,2-dimethyl-6-(phenylsulfanyl)-3-heptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2S
InChI InChI=1S/C16H24O2S/c1-12(19-13-9-7-6-8-10-13)14(18-5)11-15(17)16(2,3)4/h6-10,12,14H,11H2,1-5H3
InChIKey LWVDMCOTTMWEGU-UHFFFAOYSA-N
Molecular Weight 280.426 g/mol
SMILES C(CC(C(Sc1ccccc1)C)OC)(C(C)(C)C)=O
SPLASH splash10-0a4u-9300000000-40b19dbb47fb354ace72
Source of Spectrum J-58-585-3
Wiley ID 1283926