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N-[(3-chloro-4-fluorophenyl)sulfonyl]-beta-alanine
SpectraBase Compound ID J0GQ1qR4Ipa
InChI InChI=1S/C9H9ClFNO4S/c10-7-5-6(1-2-8(7)11)17(15,16)12-4-3-9(13)14/h1-2,5,12H,3-4H2,(H,13,14)
InChIKey QWDZIHCJRBNTMS-UHFFFAOYSA-N
Mol Weight 281.69 g/mol
Molecular Formula C9H9ClFNO4S
Exact Mass 280.992485 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3tYtnxpbrMf
Name N-[(3-chloro-4-fluorophenyl)sulfonyl]-beta-alanine
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.992484807 u
Formula C9H9ClFNO4S
InChI InChI=1S/C9H9ClFNO4S/c10-7-5-6(1-2-8(7)11)17(15,16)12-4-3-9(13)14/h1-2,5,12H,3-4H2,(H,13,14)
InChIKey QWDZIHCJRBNTMS-UHFFFAOYSA-N
Molecular Weight 281.685 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2606
Solvent DMSO-d6
Source Vendor ID: NMR/12279703