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Ethyl 3-(1'-methyl-2'-oxocyclohexyl-4'-phenylthio)propanoate
SpectraBase Compound ID 5JjqtiivZIU
InChI InChI=1S/C18H24O3S/c1-3-21-17(20)10-12-18(2)11-9-15(13-16(18)19)22-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3
InChIKey OSIHIRQIHPYKIX-UHFFFAOYSA-N
Mol Weight 320.45 g/mol
Molecular Formula C18H24O3S
Exact Mass 320.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GnEptPds77I
Name Ethyl 3-(1'-methyl-2'-oxocyclohexyl-4'-phenylthio)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O3S
InChI InChI=1S/C18H24O3S/c1-3-21-17(20)10-12-18(2)11-9-15(13-16(18)19)22-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3
InChIKey OSIHIRQIHPYKIX-UHFFFAOYSA-N
Molecular Weight 320.447 g/mol
SMILES C1(C(CCC(=O)OCC)(CCC(Sc2ccccc2)C1)C)=O
SPLASH splash10-01b9-0925000000-b35e10bbba5672b156cb
Source of Spectrum U-1993-52-2
Synonyms Ethyl 3-(1'-methyl-2'-oxocyclohexyl)-4-(phenylthio)propanoate Ethyl 3-[1-methyl-2-oxo-4-(phenylsulfanyl)cyclohexyl]propanoate
Wiley ID 764794