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

View entire compound with spectra: 2 NMR

Methyl-3-(1H-5-imidazolyl)-2-[3-(6-methyl-2-pyridyl)-2-thioxo-3,4-dihydro-2H-1,3,2-lambda(5)-benzoxazaphosphinin-2-yl]-aminopropanoate
SpectraBase Compound ID 4usFRPyHnnk
InChI InChI=1S/C20H22N5O3PS/c1-14-6-5-9-19(23-14)25-12-15-7-3-4-8-18(15)28-29(25,30)24-17(20(26)27-2)10-16-11-21-13-22-16/h3-9,11,13,17H,10,12H2,1-2H3,(H,21,22)(H,24,30)
InChIKey FJXVEYOHXSIOJF-UHFFFAOYSA-N
Mol Weight 443.46 g/mol
Molecular Formula C20H22N5O3PS
Exact Mass 443.118098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 542WomXHYt2
Name Methyl-3-(1H-5-imidazolyl)-2-[3-(6-methyl-2-pyridyl)-2-thioxo-3,4-dihydro-2H-1,3,2-lambda(5)-benzoxazaphosphinin-2-yl]-aminopropanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.118097757 u
Formula C20H22N5O3PS
InChI InChI=1S/C20H22N5O3PS/c1-14-6-5-9-19(23-14)25-12-15-7-3-4-8-18(15)28-29(25,30)24-17(20(26)27-2)10-16-11-21-13-22-16/h3-9,11,13,17H,10,12H2,1-2H3,(H,21,22)(H,24,30)
InChIKey FJXVEYOHXSIOJF-UHFFFAOYSA-N
Molecular Weight 443.462 g/mol
SMILES C=12OP(N(CC2=CC=CC1)C=1C=CC=C(N1)C)(=S)NC(C(=O)OC)CC=1N=CNC1