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

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Methyl-3-methyl-2-[3-(6-methyl-2-pyridyl)-2-thioxo-3,4-dihydro-2H-1,3,2-lambda(5)-benzoxazaphosphinin-2-yl]-aminobutanoate
SpectraBase Compound ID FN9BYCn41t0
InChI InChI=1S/C19H24N3O3PS/c1-13(2)18(19(23)24-4)21-26(27)22(17-11-7-8-14(3)20-17)12-15-9-5-6-10-16(15)25-26/h5-11,13,18H,12H2,1-4H3,(H,21,27)
InChIKey XVXQQOPNXJLNRN-UHFFFAOYSA-N
Mol Weight 405.45 g/mol
Molecular Formula C19H24N3O3PS
Exact Mass 405.1276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5tRCaAvz6Mm
Name Methyl-3-methyl-2-[3-(6-methyl-2-pyridyl)-2-thioxo-3,4-dihydro-2H-1,3,2-lambda(5)-benzoxazaphosphinin-2-yl]-aminobutanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.127599814 u
Formula C19H24N3O3PS
InChI InChI=1S/C19H24N3O3PS/c1-13(2)18(19(23)24-4)21-26(27)22(17-11-7-8-14(3)20-17)12-15-9-5-6-10-16(15)25-26/h5-11,13,18H,12H2,1-4H3,(H,21,27)
InChIKey XVXQQOPNXJLNRN-UHFFFAOYSA-N
Molecular Weight 405.453 g/mol
SMILES C=12OP(N(CC2=CC=CC1)C=1C=CC=C(N1)C)(=S)NC(C(=O)OC)C(C)C