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3-(phenylsulfonyl)propionic acid, methyl ester
SpectraBase Compound ID 1zdnLBlrVAi
InChI InChI=1S/C10H12O4S/c1-14-10(11)7-8-15(12,13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey WWSDWMABULBZIZ-UHFFFAOYSA-N
Mol Weight 228.26 g/mol
Molecular Formula C10H12O4S
Exact Mass 228.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZFV0SUmvb
Name Methyl 3-(phenylsulfonyl)propanoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O4S
InChI InChI=1S/C10H12O4S/c1-14-10(11)7-8-15(12,13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey WWSDWMABULBZIZ-UHFFFAOYSA-N
Instrument Name Agilent Technologies GC/MS-5973N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000425
Molecular Weight 228.262 g/mol
SMILES c1ccc(S(CCC(OC)=O)(=O)=O)cc1
SPLASH splash10-0fb9-9500000000-df50d9478568397c753d
Source of Spectrum U1-2020-SM4-4g
Thin-Layer Chromatography Rf = 0.47 (hexane/ethyl acetate, 1:1)
Wiley ID 1860647