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Ethyl-2-[(7-methoxy-3-sulfido-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-yl)-amino]-3-phenylpropanoate

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Ethyl-2-[(7-methoxy-3-sulfido-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-yl)-amino]-3-phenylpropanoate
SpectraBase Compound ID 5f3cFL98SqS
InChI InChI=1S/C19H22NO5PS/c1-3-23-19(21)18(14-7-5-4-6-8-14)20-26(27)24-12-15-9-10-17(22-2)11-16(15)13-25-26/h4-11,18H,3,12-13H2,1-2H3,(H,20,27)
InChIKey JOSCBWYBYCHPMY-UHFFFAOYSA-N
Mol Weight 407.42 g/mol
Molecular Formula C19H22NO5PS
Exact Mass 407.095631 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78sFWKx5U0T
Name Ethyl-2-[(7-methoxy-3-sulfido-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-yl)-amino]-3-phenylpropanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.095630979 u
Formula C19H22NO5PS
InChI InChI=1S/C19H22NO5PS/c1-3-23-19(21)18(14-7-5-4-6-8-14)20-26(27)24-12-15-9-10-17(22-2)11-16(15)13-25-26/h4-11,18H,3,12-13H2,1-2H3,(H,20,27)
InChIKey JOSCBWYBYCHPMY-UHFFFAOYSA-N
Molecular Weight 407.421 g/mol
SMILES C1OP(OCC=2C1=CC=C(C2)OC)(=S)NC(C(=O)OCC)C1=CC=CC=C1