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phenylalanine, N-[(4-chlorophenyl)sulfonyl]-, methyl ester

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phenylalanine, N-[(4-chlorophenyl)sulfonyl]-, methyl ester
SpectraBase Compound ID 2N9XfLHZSOx
InChI InChI=1S/C16H16ClNO4S/c1-22-16(19)15(11-12-5-3-2-4-6-12)18-23(20,21)14-9-7-13(17)8-10-14/h2-10,15,18H,11H2,1H3
InChIKey PNHMUFAURHIVMW-UHFFFAOYSA-N
Mol Weight 353.82 g/mol
Molecular Formula C16H16ClNO4S
Exact Mass 353.048857 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Err9iT9e414
Name Phenylalanine, N-[(4-chlorophenyl)sulfonyl]-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.048856869 u
Formula C16H16ClNO4S
InChI InChI=1S/C16H16ClNO4S/c1-22-16(19)15(11-12-5-3-2-4-6-12)18-23(20,21)14-9-7-13(17)8-10-14/h2-10,15,18H,11H2,1H3
InChIKey PNHMUFAURHIVMW-UHFFFAOYSA-N
Molecular Weight 353.820 g/mol
SMILES N(S(C1=CC=C(C=C1)Cl)(=O)=O)C(C(=O)OC)CC=1C=CC=CC1