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1,3-Cyclopentanedione, 2-ethyl-2-[3-oxo-5-(phenylthio)pentyl]-
SpectraBase Compound ID GDfL0CNhLej
InChI InChI=1S/C18H22O3S/c1-2-18(16(20)8-9-17(18)21)12-10-14(19)11-13-22-15-6-4-3-5-7-15/h3-7H,2,8-13H2,1H3
InChIKey XQDCYGNMWMYTQA-UHFFFAOYSA-N
Mol Weight 318.43 g/mol
Molecular Formula C18H22O3S
Exact Mass 318.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUA4S9ukpqX
Name 1,3-Cyclopentanedione, 2-ethyl-2-[3-oxo-5-(phenylthio)pentyl]-
CAS Registry Number 101750-88-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O3S
InChI InChI=1S/C18H22O3S/c1-2-18(16(20)8-9-17(18)21)12-10-14(19)11-13-22-15-6-4-3-5-7-15/h3-7H,2,8-13H2,1H3
InChIKey XQDCYGNMWMYTQA-UHFFFAOYSA-N
Molecular Weight 318.431 g/mol
SMILES C1(C(CCC1=O)=O)(CCC(=O)CCSc1ccccc1)CC
SPLASH splash10-0a4r-4901000000-f122e1c3cb7fe2d8855c
Source of Spectrum F-41-4479-10
Synonyms 2-Ethyl-2-[3-oxo-5-(phenylthio)pentyl]cyclopentane-1,3-dione 2-Ethyl-2-(3-oxo-5-phenylsulfanylpentyl)cyclopentane-1,3-dione 2-Ethyl-2-(3-oxo-5-phenylsulfanyl-pentyl)cyclopentane-1,3-dione 2-Ethyl-2-(3-oxidanylidene-5-phenylsulfanyl-pentyl)cyclopentane-1,3-dione
Wiley ID 1318492