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Ethyl 3-(4'-benzyloxyphenyl)-2-deuterio-3-[N-(R)-1-phenylethylamino]propanoate
SpectraBase Compound ID JglqfmAPqf6
InChI InChI=1S/C26H29NO3/c1-3-29-26(28)18-25(27-20(2)22-12-8-5-9-13-22)23-14-16-24(17-15-23)30-19-21-10-6-4-7-11-21/h4-17,20,25,27H,3,18-19H2,1-2H3/t20-,25?/m1/s1/i18D/t18?,20-,25?
InChIKey RDRFOTPLRMWJCB-GKGHLVDVSA-N
Mol Weight 404.53 g/mol
Molecular Formula C26H282DNO3
Exact Mass 404.221021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7KUr7OxKzwh
Name Ethyl 3-(4'-benzyloxyphenyl)-2-deuterio-3-[N-(R)-1-phenylethylamino]propanoate
Comments Less than 3 mono-isotopic peaks
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Formula C26H28DNO3
InChI InChI=1S/C26H29NO3/c1-3-29-26(28)18-25(27-20(2)22-12-8-5-9-13-22)23-14-16-24(17-15-23)30-19-21-10-6-4-7-11-21/h4-17,20,25,27H,3,18-19H2,1-2H3/t20-,25?/m1/s1/i18D/t18?,20-,25?
InChIKey RDRFOTPLRMWJCB-GKGHLVDVSA-N
Molecular Weight 404.528 g/mol
SMILES N(C(C(C(=O)OCC)[2D])c1ccc(OCc2ccccc2)cc1)[C@@](c1ccccc1)(C)[H]
SPLASH splash10-0006-9010000000-de2b7a7736ee037cd21c
Source of Spectrum U-1995-927-7
Wiley ID 766842