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N-(tert-Butoxycarbonyl)-2-(4-methoxyphenyl)-5-methyl-1-[(phenylmethoxy)carbonyl]-3-piperidineamine
SpectraBase Compound ID KdBzRk5UR3n
InChI InChI=1S/C26H34N2O5/c1-18-15-22(27-24(29)33-26(2,3)4)23(20-11-13-21(31-5)14-12-20)28(16-18)25(30)32-17-19-9-7-6-8-10-19/h6-14,18,22-23H,15-17H2,1-5H3,(H,27,29)/t18-,22+,23+/m0/s1
InChIKey QMLYZAGEWKZJNX-CDNPAEQRSA-N
Mol Weight 454.6 g/mol
Molecular Formula C26H34N2O5
Exact Mass 454.246772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Efq7bvQwMmG
Name N-(tert-Butoxycarbonyl)-2-(4-methoxyphenyl)-5-methyl-1-[(phenylmethoxy)carbonyl]-3-piperidineamine
Alternate Name(s) (2R,3R,5S)-3-tert-Butoxycarbonylamino-2-(4-methoxy-phenyl)-5-methyl-piperidine-1-carboxylic acid benzyl ester benzyl 3-[(tert-butoxycarbonyl)amino]-2-(4-methoxyphenyl)-5-methyl-1-piperidinecarboxylate
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Formula C26H34N2O5
InChI InChI=1S/C26H34N2O5/c1-18-15-22(27-24(29)33-26(2,3)4)23(20-11-13-21(31-5)14-12-20)28(16-18)25(30)32-17-19-9-7-6-8-10-19/h6-14,18,22-23H,15-17H2,1-5H3,(H,27,29)/t18-,22+,23+/m0/s1
InChIKey QMLYZAGEWKZJNX-CDNPAEQRSA-N
Molecular Weight 454.567 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@]1([C@](N(C(OCc2ccccc2)=O)C[C@](C1)(C)[H])(c1ccc(cc1)OC)[H])[H]
SPLASH splash10-0006-9002000000-f4b29e42a8514d249700
Source of Spectrum F-53-12710-21
Wiley ID 803533