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N-dansyl-methyltyrosine

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

N-dansyl-methyltyrosine
SpectraBase Compound ID 8m8KkJ36bp6
InChI InChI=1S/C22H24N2O5S/c1-24(2)18-13-7-12-17-16(18)11-8-14-19(17)30(27,28)23-20(22(26)29-3)21(25)15-9-5-4-6-10-15/h4-14,20-21,23,25H,1-3H3
InChIKey ZLQHKWIOHSTZAP-UHFFFAOYSA-N
Mol Weight 428.5 g/mol
Molecular Formula C22H24N2O5S
Exact Mass 428.140593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4VT5DBeuEEI
Name N-Dansyl-methyltyrosine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.140593050 u
Formula C22H24N2O5S
InChI InChI=1S/C22H24N2O5S/c1-24(2)18-13-7-12-17-16(18)11-8-14-19(17)30(27,28)23-20(22(26)29-3)21(25)15-9-5-4-6-10-15/h4-14,20-21,23,25H,1-3H3
InChIKey ZLQHKWIOHSTZAP-UHFFFAOYSA-N
Molecular Weight 428.503 g/mol
SMILES C(NS(C1=C2C(C(N(C)C)=CC=C2)=CC=C1)(=O)=O)(C(=O)OC)C(C1=CC=CC=C1)O