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1-[(Phenylthio)carbonyl]-2,2-dimethylpropyl acetate
SpectraBase Compound ID 3aaMLpBCMPZ
InChI InChI=1S/C14H18O3S/c1-10(15)17-12(14(2,3)4)13(16)18-11-8-6-5-7-9-11/h5-9,12H,1-4H3
InChIKey WKAAHJBSZNNOGC-UHFFFAOYSA-N
Mol Weight 266.35 g/mol
Molecular Formula C14H18O3S
Exact Mass 266.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lpuGztXQwb
Name 1-[(Phenylthio)carbonyl]-2,2-dimethylpropyl acetate
Alternate Name(s) 3,3-Dimethyl-1-oxo-1-(phenylthio)butan-2-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3S
InChI InChI=1S/C14H18O3S/c1-10(15)17-12(14(2,3)4)13(16)18-11-8-6-5-7-9-11/h5-9,12H,1-4H3
InChIKey WKAAHJBSZNNOGC-UHFFFAOYSA-N
Molecular Weight 266.355 g/mol
SMILES C(C)(=O)OC(C(C)(C)C)C(=O)Sc1ccccc1
SPLASH splash10-06tr-4900000000-11379121b8e6f4ef7e88
Source of Spectrum ASC-352-2959-2f
Wiley ID 1764063