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N-[(3-chloro-4-fluorophenyl)sulfonyl]alanine
SpectraBase Compound ID G2aeBZc4V5x
InChI InChI=1S/C9H9ClFNO4S/c1-5(9(13)14)12-17(15,16)6-2-3-8(11)7(10)4-6/h2-5,12H,1H3,(H,13,14)
InChIKey XTWFAFUSMARDPX-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 AWAVH149L2x
Name N-[(3-chloro-4-fluorophenyl)sulfonyl]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/c1-5(9(13)14)12-17(15,16)6-2-3-8(11)7(10)4-6/h2-5,12H,1H3,(H,13,14)
InChIKey XTWFAFUSMARDPX-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_2607
Solvent DMSO-d6
Source Vendor ID: NMR/12279706