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Dimethyl syn/anti-2-acetyl-3-(tosylmethyl)pentanedioate
SpectraBase Compound ID 9AMwr6GMAbu
InChI InChI=1S/C17H22O7S/c1-11-5-7-14(8-6-11)25(21,22)10-13(9-15(19)23-3)16(12(2)18)17(20)24-4/h5-8,13,16H,9-10H2,1-4H3
InChIKey XPLSBBLJYNYRJQ-UHFFFAOYSA-N
Mol Weight 370.42 g/mol
Molecular Formula C17H22O7S
Exact Mass 370.108624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID h0Owm24I1o
Name Dimethyl syn/anti-2-acetyl-3-(tosylmethyl)pentanedioate
Alternate Name(s) Dimethyl 2-acetyl-3-{[(4-methylphenyl)sulfonyl]methyl}pentanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O7S
InChI InChI=1S/C17H22O7S/c1-11-5-7-14(8-6-11)25(21,22)10-13(9-15(19)23-3)16(12(2)18)17(20)24-4/h5-8,13,16H,9-10H2,1-4H3
InChIKey XPLSBBLJYNYRJQ-UHFFFAOYSA-N
Molecular Weight 370.416 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C(C(C(=O)OC)C(=O)C)CC(=O)OC
SPLASH splash10-0006-4910000000-4e6679333b3b104877b7
Source of Spectrum F-52-15255-16
Wiley ID 799680