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L-3-Phenyl-N-(p-tolylsulfonyl)alanine, 9-anthrylmethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

L-3-Phenyl-N-(p-tolylsulfonyl)alanine, 9-anthrylmethyl ester
SpectraBase Compound ID 7vfZTs9oFGu
InChI InChI=1S/C31H27NO4S/c1-22-15-17-26(18-16-22)37(34,35)32-30(19-23-9-3-2-4-10-23)31(33)36-21-29-27-13-7-5-11-24(27)20-25-12-6-8-14-28(25)29/h2-18,20,30,32H,19,21H2,1H3
InChIKey HGNHLIKVJYEKKP-UHFFFAOYSA-N
Mol Weight 509.62 g/mol
Molecular Formula C31H27NO4S
Exact Mass 509.16608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cs1p14PxACB
Name L-3-Phenyl-N-(p-tolylsulfonyl)alanine, 9-anthrylmethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 509.166079523 u
Formula C31H27NO4S
InChI InChI=1S/C31H27NO4S/c1-22-15-17-26(18-16-22)37(34,35)32-30(19-23-9-3-2-4-10-23)31(33)36-21-29-27-13-7-5-11-24(27)20-25-12-6-8-14-28(25)29/h2-18,20,30,32H,19,21H2,1H3
InChIKey HGNHLIKVJYEKKP-UHFFFAOYSA-N
Molecular Weight 509.620 g/mol
SMILES N(C(C(=O)OCC=1C2=C(C=C3C1C=CC=C3)C=CC=C2)CC=1C=CC=CC1)S(=O)(=O)C=1C=CC(=CC1)C