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(S)-2-(1-(4-Chlorbenzoyl)-5-methoxy-2-methylindol-3-acetoxy)-propionicacidethylester
SpectraBase Compound ID 53w1fZ3EFGP
InChI InChI=1S/C24H24ClNO6/c1-5-31-24(29)15(3)32-22(27)13-19-14(2)26(21-11-10-18(30-4)12-20(19)21)23(28)16-6-8-17(25)9-7-16/h6-12,15H,5,13H2,1-4H3/t15-/m0/s1
InChIKey ACEJFTJGRITWHM-HNNXBMFYSA-N
Mol Weight 457.91 g/mol
Molecular Formula C24H24ClNO6
Exact Mass 457.129215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FTDSdxheWF
Name (S)-2-(1-(4-Chlorbenzoyl)-5-methoxy-2-methylindol-3-acetoxy)-propionicacidethylester
Comments Computed using HOSE algorithm
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Exact Mass 457.129215191 u
Formula C24H24ClNO6
InChI InChI=1S/C24H24ClNO6/c1-5-31-24(29)15(3)32-22(27)13-19-14(2)26(21-11-10-18(30-4)12-20(19)21)23(28)16-6-8-17(25)9-7-16/h6-12,15H,5,13H2,1-4H3/t15-/m0/s1
InChIKey ACEJFTJGRITWHM-HNNXBMFYSA-N
Molecular Weight 457.910 g/mol
SMILES [C@](OC(=O)CC1=C(N(C(=O)C2=CC=C(C=C2)Cl)C=2C=CC(=CC12)OC)C)(C(=O)OCC)(C)[H]