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1,3-Butanedione, 2-[(methylsulfonyl)oxy]-1-phenyl-
SpectraBase Compound ID 4sJUepUEMHq
InChI InChI=1S/C11H12O5S/c1-8(12)11(16-17(2,14)15)10(13)9-6-4-3-5-7-9/h3-7,11H,1-2H3
InChIKey QVWJICYDHDWMCJ-UHFFFAOYSA-N
Mol Weight 256.27 g/mol
Molecular Formula C11H12O5S
Exact Mass 256.040545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8kVLwb1gZt
Name 1,3-Butanedione, 2-[(methylsulfonyl)oxy]-1-phenyl-
Alternate Name(s) (1,3-Dioxy-2-(methylsulfonic)but-1-yl)benzene 1-Benzoyl-2-oxopropyl methanesulfonate
CAS Registry Number 116858-72-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O5S
InChI InChI=1S/C11H12O5S/c1-8(12)11(16-17(2,14)15)10(13)9-6-4-3-5-7-9/h3-7,11H,1-2H3
InChIKey QVWJICYDHDWMCJ-UHFFFAOYSA-N
Molecular Weight 256.272 g/mol
SMILES C(OS(=O)(=O)C)(C(=O)c1ccccc1)C(=O)C
SPLASH splash10-0a4i-0900000000-9240ccdda8e2200d6a35
Source of Spectrum F-44-1606-2
Wiley ID 1259267