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1-(p-tolylsulfanylcarbonyl)butyl acetate
SpectraBase Compound ID G1zJZwc9Y0j
InChI InChI=1S/C14H18O3S/c1-4-5-13(17-11(3)15)14(16)18-12-8-6-10(2)7-9-12/h6-9,13H,4-5H2,1-3H3
InChIKey UFXVWQBGDLEPKD-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 BCKgAf4sy2i
Name 1-(p-tolylsulfanylcarbonyl)butyl acetate
CAS Registry Number 54789-59-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3S
InChI InChI=1S/C14H18O3S/c1-4-5-13(17-11(3)15)14(16)18-12-8-6-10(2)7-9-12/h6-9,13H,4-5H2,1-3H3
InChIKey UFXVWQBGDLEPKD-UHFFFAOYSA-N
Molecular Weight 266.355 g/mol
SMILES C(Sc1ccc(cc1)C)(C(OC(=O)C)CCC)=O
SPLASH splash10-0006-6900000000-261d3935a4ec68c151d7
Source of Spectrum C-97-598-0
Synonyms Acetic acid 1-(p-tolylthio)carbonylbutyl ester Acetic acid [1-[(4-methylphenyl)thio]-1-oxopentan-2-yl] ester [1-(4-methylphenyl)sulfanyl-1-oxopentan-2-yl] acetate
Wiley ID 1269800