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5-(Dimethylamino)naphthalene-1-sulfonyl-tyrosine

View entire compound with spectra: 1 NMR

5-(Dimethylamino)naphthalene-1-sulfonyl-tyrosine
SpectraBase Compound ID 3w42QQFqbLn
InChI InChI=1S/C21H22N2O5S/c1-23(2)19-7-3-6-17-16(19)5-4-8-20(17)29(27,28)22-18(21(25)26)13-14-9-11-15(24)12-10-14/h3-12,18,22,24H,13H2,1-2H3,(H,25,26)
InChIKey JPGUWJLXQOQWNI-UHFFFAOYSA-N
Mol Weight 414.48 g/mol
Molecular Formula C21H22N2O5S
Exact Mass 414.124943 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E5EuIW5935f
Name 5-(Dimethylamino)naphthalene-1-sulfonyl-tyrosine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.124942985 u
Formula C21H22N2O5S
InChI InChI=1S/C21H22N2O5S/c1-23(2)19-7-3-6-17-16(19)5-4-8-20(17)29(27,28)22-18(21(25)26)13-14-9-11-15(24)12-10-14/h3-12,18,22,24H,13H2,1-2H3,(H,25,26)
InChIKey JPGUWJLXQOQWNI-UHFFFAOYSA-N
Molecular Weight 414.476 g/mol
SMILES C1=2C(=C(C=CC2)N(C)C)C=CC=C1S(=O)(=O)NC(CC1=CC=C(C=C1)O)C(=O)O