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(2S)-2-(4-Toluenesulfonamido)-3-phenyl-propionic acid

View entire compound with spectra: 2 NMR, and 1 MS (GC)

(2S)-2-(4-Toluenesulfonamido)-3-phenyl-propionic acid
SpectraBase Compound ID B7TKfKcgCim
InChI InChI=1S/C16H17NO4S/c1-12-7-9-14(10-8-12)22(20,21)17-15(16(18)19)11-13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3,(H,18,19)
InChIKey CGRCVIZBNRUWLY-UHFFFAOYSA-N
Mol Weight 319.38 g/mol
Molecular Formula C16H17NO4S
Exact Mass 319.087829 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BiYLZWrehaH
Name N-[(4-methylphenyl)sulfonyl]phenylalanine
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.087829201 u
Formula C16H17NO4S
InChI InChI=1S/C16H17NO4S/c1-12-7-9-14(10-8-12)22(20,21)17-15(16(18)19)11-13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3,(H,18,19)
InChIKey CGRCVIZBNRUWLY-UHFFFAOYSA-N
Molecular Weight 319.375 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3624
Solvent DMSO-d6
Source Vendor ID: NMR/12288961