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(2S,.alpha.,R)-[R]-.alpha.-Cyano-(6'-methoxynaphthalen-2'-yl)methyl -[2S]-(p-Chlorophenyl)-3-mkethylbutanoate
SpectraBase Compound ID 6I9bgDIH6hn
InChI InChI=1S/C24H22ClNO3/c1-15(2)23(16-6-9-20(25)10-7-16)24(27)29-22(14-26)19-5-4-18-13-21(28-3)11-8-17(18)12-19/h4-13,15,22-23H,1-3H3/t22-,23-/m0/s1
InChIKey RNOMFEBDDQRARB-GOTSBHOMSA-N
Mol Weight 407.9 g/mol
Molecular Formula C24H22ClNO3
Exact Mass 407.128821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VOcynjYerK
Name (2S,.alpha.,R)-[R]-.alpha.-Cyano-(6'-methoxynaphthalen-2'-yl)methyl -[2S]-(p-Chlorophenyl)-3-mkethylbutanoate
Comments Less than 3 mono-isotopic peaks
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Formula C24H22ClNO3
InChI InChI=1S/C24H22ClNO3/c1-15(2)23(16-6-9-20(25)10-7-16)24(27)29-22(14-26)19-5-4-18-13-21(28-3)11-8-17(18)12-19/h4-13,15,22-23H,1-3H3/t22-,23-/m0/s1
InChIKey RNOMFEBDDQRARB-GOTSBHOMSA-N
Molecular Weight 407.897 g/mol
SMILES C(O[C@](c1cc2c(cc(cc2)OC)cc1)(C#N)[H])([C@](c1ccc(Cl)cc1)(C(C)C)[H])=O
SPLASH splash10-0a4i-0000900000-e3361a2a1a7e6de50f66
Source of Spectrum CRT-18-521-A
Wiley ID 1710114