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Methyl-2-[3-(6-methyl-2-pyridyl)-2-thioxo-3,4-dihydro-2H-1,3,2-lambda(5)-benzoxazaphosphinin-2-yl]-amino-3-phenylpropanoate

View entire compound with spectra: 2 NMR

Methyl-2-[3-(6-methyl-2-pyridyl)-2-thioxo-3,4-dihydro-2H-1,3,2-lambda(5)-benzoxazaphosphinin-2-yl]-amino-3-phenylpropanoate
SpectraBase Compound ID JSvq2s6YuAq
InChI InChI=1S/C23H24N3O3PS/c1-17-9-8-14-22(24-17)26-16-19-12-6-7-13-21(19)29-30(26,31)25-20(23(27)28-2)15-18-10-4-3-5-11-18/h3-14,20H,15-16H2,1-2H3,(H,25,31)
InChIKey DJTBKEFTECWWDS-UHFFFAOYSA-N
Mol Weight 453.5 g/mol
Molecular Formula C23H24N3O3PS
Exact Mass 453.1276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBgmKFeNHjM
Name Methyl-2-[3-(6-methyl-2-pyridyl)-2-thioxo-3,4-dihydro-2H-1,3,2-lambda(5)-benzoxazaphosphinin-2-yl]-amino-3-phenylpropanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.127599814 u
Formula C23H24N3O3PS
InChI InChI=1S/C23H24N3O3PS/c1-17-9-8-14-22(24-17)26-16-19-12-6-7-13-21(19)29-30(26,31)25-20(23(27)28-2)15-18-10-4-3-5-11-18/h3-14,20H,15-16H2,1-2H3,(H,25,31)
InChIKey DJTBKEFTECWWDS-UHFFFAOYSA-N
Molecular Weight 453.497 g/mol
SMILES C=12OP(N(CC2=CC=CC1)C=1C=CC=C(N1)C)(=S)NC(C(=O)OC)CC1=CC=CC=C1