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N-{[3-(trifluoromethyl)phenyl]sulfonyl}-beta-alanine
SpectraBase Compound ID C6YsDqdB39C
InChI InChI=1S/C10H10F3NO4S/c11-10(12,13)7-2-1-3-8(6-7)19(17,18)14-5-4-9(15)16/h1-3,6,14H,4-5H2,(H,15,16)
InChIKey XNOHFTISYMPZGD-UHFFFAOYSA-N
Mol Weight 297.25 g/mol
Molecular Formula C10H10F3NO4S
Exact Mass 297.028263 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2RgcuuAFe3D
Name N-{[3-(trifluoromethyl)phenyl]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 297.028263465 u
Formula C10H10F3NO4S
InChI InChI=1S/C10H10F3NO4S/c11-10(12,13)7-2-1-3-8(6-7)19(17,18)14-5-4-9(15)16/h1-3,6,14H,4-5H2,(H,15,16)
InChIKey XNOHFTISYMPZGD-UHFFFAOYSA-N
Molecular Weight 297.248 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2626
Solvent DMSO-d6
Source Vendor ID: NMR/12279726