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benzoic acid 2-[5,5-dimethyl-2-[2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-dioxan-2-yl]ethyl ester
SpectraBase Compound ID BVxfSzuLrKX
InChI InChI=1S/C25H33NO4/c1-20(21-10-6-4-7-11-21)26-16-14-25(29-18-24(2,3)19-30-25)15-17-28-23(27)22-12-8-5-9-13-22/h4-13,20,26H,14-19H2,1-3H3/t20-/m1/s1
InChIKey INXKDCLFLPKLHF-HXUWFJFHSA-N
Mol Weight 411.5 g/mol
Molecular Formula C25H33NO4
Exact Mass 411.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID fowNq2Vyex
Name benzoic acid 2-[5,5-dimethyl-2-[2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-dioxan-2-yl]ethyl ester
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Formula C25H33NO4
InChI InChI=1S/C25H33NO4/c1-20(21-10-6-4-7-11-21)26-16-14-25(29-18-24(2,3)19-30-25)15-17-28-23(27)22-12-8-5-9-13-22/h4-13,20,26H,14-19H2,1-3H3/t20-/m1/s1
InChIKey INXKDCLFLPKLHF-HXUWFJFHSA-N
Molecular Weight 411.542 g/mol
SMILES N(CCC1(OCC(CO1)(C)C)CCOC(=O)c1ccccc1)[C@@](c1ccccc1)(C)[H]
SPLASH splash10-0adi-1943000000-7c7112cb4b36f5a29669
Source of Spectrum K1-2004-5131-12
Wiley ID 1562045