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1-[(Phenylthio)carbonyl]-2-methylpropyl acetate
SpectraBase Compound ID BpyEBO4BJGH
InChI InChI=1S/C13H16O3S/c1-9(2)12(16-10(3)14)13(15)17-11-7-5-4-6-8-11/h4-9,12H,1-3H3
InChIKey QLDPURQNKGLNQS-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADmEa8thW6p
Name 1-[(Phenylthio)carbonyl]-2-methylpropyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-9(2)12(16-10(3)14)13(15)17-11-7-5-4-6-8-11/h4-9,12H,1-3H3
InChIKey QLDPURQNKGLNQS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000376
Molecular Weight 252.328 g/mol
SMILES C(C)(=O)OC(C(C)C)C(=O)Sc1ccccc1
SPLASH splash10-02tc-0900000000-08d8813ab28892180907
Source of Spectrum ASC-352-2959-2e
Synonyms 3-Methyl-1-oxo-1-(phenylthio)butan-2-yl acetate
Wiley ID 1764062