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2-carboxyethyl 3,4-dimethylphenylsulphone
SpectraBase Compound ID BprarQPH9yp
InChI InChI=1S/C11H14O4S/c1-8-3-4-10(7-9(8)2)16(14,15)6-5-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKey BQBZVJSVOQMDRC-UHFFFAOYSA-N
Mol Weight 242.29 g/mol
Molecular Formula C11H14O4S
Exact Mass 242.06128 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3mqsBuFVdt0
Name 3-[(3,4-dimethylphenyl)sulfonyl]propanoic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.061280101 u
Formula C11H14O4S
InChI InChI=1S/C11H14O4S/c1-8-3-4-10(7-9(8)2)16(14,15)6-5-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKey BQBZVJSVOQMDRC-UHFFFAOYSA-N
Molecular Weight 242.289 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2544
Solvent DMSO-d6
Source Vendor ID: NMR/12279621