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L-Serine, N,o-bis(2-chlorobenzoyl)-, methyl ester
SpectraBase Compound ID 97IhifoEKSu
InChI InChI=1S/C18H15Cl2NO5/c1-25-18(24)15(21-16(22)11-6-2-4-8-13(11)19)10-26-17(23)12-7-3-5-9-14(12)20/h2-9,15H,10H2,1H3,(H,21,22)
InChIKey XKVADCVCQJNALI-UHFFFAOYSA-N
Mol Weight 396.23 g/mol
Molecular Formula C18H15Cl2NO5
Exact Mass 395.032728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ksMjgCRhgT
Name L-Serine, N,o-bis(2-chlorobenzoyl)-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 395.032727982 u
Formula C18H15Cl2NO5
InChI InChI=1S/C18H15Cl2NO5/c1-25-18(24)15(21-16(22)11-6-2-4-8-13(11)19)10-26-17(23)12-7-3-5-9-14(12)20/h2-9,15H,10H2,1H3,(H,21,22)
InChIKey XKVADCVCQJNALI-UHFFFAOYSA-N
Molecular Weight 396.226 g/mol
SMILES C1(=CC=CC=C1C(OCC(NC(C1=CC=CC=C1Cl)=O)C(OC)=O)=O)Cl