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N-(1-Naphthylsulfonyl)-L-phenylalanyl chloride
SpectraBase Compound ID GvvwmtrO3Yn
InChI InChI=1S/C19H16ClNO3S/c20-19(22)17(13-14-7-2-1-3-8-14)21-25(23,24)18-12-6-10-15-9-4-5-11-16(15)18/h1-12,17,21H,13H2/t17-/m0/s1
InChIKey CDECDNASIKPCAM-KRWDZBQOSA-N
Mol Weight 373.85 g/mol
Molecular Formula C19H16ClNO3S
Exact Mass 373.053942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8A8HzXTv5zJ
Name N-(1-Naphthylsulfonyl)-L-phenylalanyl chloride
Comments Computed using HOSE algorithm
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Exact Mass 373.053942250 u
Formula C19H16ClNO3S
InChI InChI=1S/C19H16ClNO3S/c20-19(22)17(13-14-7-2-1-3-8-14)21-25(23,24)18-12-6-10-15-9-4-5-11-16(15)18/h1-12,17,21H,13H2/t17-/m0/s1
InChIKey CDECDNASIKPCAM-KRWDZBQOSA-N
Molecular Weight 373.854 g/mol
SMILES C1=C2C(=C(C=C1)S(=O)(N[C@@](CC1=CC=CC=C1)(C(Cl)=O)[H])=O)C=CC=C2