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2-[5-(benzenesulfonyl)-3-oxo-pentyl]-2-ethyl-cyclopentane-1,3-dione
SpectraBase Compound ID 8pHJPshojZg
InChI InChI=1S/C18H22O5S/c1-2-18(16(20)8-9-17(18)21)12-10-14(19)11-13-24(22,23)15-6-4-3-5-7-15/h3-7H,2,8-13H2,1H3
InChIKey OYVMVDCRENCFNP-UHFFFAOYSA-N
Mol Weight 350.43 g/mol
Molecular Formula C18H22O5S
Exact Mass 350.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2W0X3EHaHxQ
Name 2-[5-(benzenesulfonyl)-3-oxo-pentyl]-2-ethyl-cyclopentane-1,3-dione
Alternate Name(s) 2-Ethyl-2-(3-oxo-5-(phenylsulfonyl)pentyl)cyclopentane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O5S
InChI InChI=1S/C18H22O5S/c1-2-18(16(20)8-9-17(18)21)12-10-14(19)11-13-24(22,23)15-6-4-3-5-7-15/h3-7H,2,8-13H2,1H3
InChIKey OYVMVDCRENCFNP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.19860040308
Molecular Weight 350.429 g/mol
SMILES C1(C(C(CC1)=O)(CCC(=O)CCS(c1ccccc1)(=O)=O)CC)=O
SPLASH splash10-0zfr-3009000000-65cb293fe06bcc04660c
Source of Spectrum SI-4-235-19b
Wiley ID 1813359