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4-(phenylsulfonyl)butan-2-one
SpectraBase Compound ID KTNSNCU3WFg
InChI InChI=1S/C10H12O3S/c1-9(11)7-8-14(12,13)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey XBBVTJOAYYZFPW-UHFFFAOYSA-N
Mol Weight 212.26 g/mol
Molecular Formula C10H12O3S
Exact Mass 212.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1547iEnto4k
Name 4-(phenylsulfonyl)butan-2-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.050715417 u
Formula C10H12O3S
InChI InChI=1S/C10H12O3S/c1-9(11)7-8-14(12,13)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey XBBVTJOAYYZFPW-UHFFFAOYSA-N
Instrument Name Shimazdu QP-5000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201702892
Molecular Weight 212.263 g/mol
Quality 302
SMILES C(S(C1=CC=CC=C1)(=O)=O)CC(C)=O
SPLASH splash10-056r-9700000000-e1f67601a9e207ada1b8
Source of Spectrum QE-23-SM10-6i (DOI: 10.1002/chem.201702892)
Thin-Layer Chromatography 0.27 (Hexane/AcOEt, 1:1)
Wiley ID 1905650