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(4S,5S,2R/S)-[N-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)methylamino](4-methoxyphenyl)acetonitrile
SpectraBase Compound ID 7L1Ejl6CCVP
InChI InChI=1S/C22H26N2O3/c1-22(2)26-15-20(21(27-22)17-8-6-5-7-9-17)24(3)19(14-23)16-10-12-18(25-4)13-11-16/h5-13,19-21H,15H2,1-4H3/t19?,20-,21+/m0/s1
InChIKey XFWSHQDOXHFRCO-GJGLBJJNSA-N
Mol Weight 366.46 g/mol
Molecular Formula C22H26N2O3
Exact Mass 366.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzWSgJ0YIeJ
Name (4S,5S,2R/S)-[N-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)methylamino](4-methoxyphenyl)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26N2O3
InChI InChI=1S/C22H26N2O3/c1-22(2)26-15-20(21(27-22)17-8-6-5-7-9-17)24(3)19(14-23)16-10-12-18(25-4)13-11-16/h5-13,19-21H,15H2,1-4H3/t19?,20-,21+/m0/s1
InChIKey XFWSHQDOXHFRCO-GJGLBJJNSA-N
Molecular Weight 366.461 g/mol
SMILES [C@]1(N(C(C#N)c2ccc(cc2)OC)C)([C@](OC(OC1)(C)C)(c1ccccc1)[H])[H]
SPLASH splash10-0f6t-0950000000-3a5120c5fed7e1b51f69
Source of Spectrum J-73-9643-3b
Wiley ID 1668835