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(3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]caprylic acid tert-butyl ester
SpectraBase Compound ID 2TcTmYXg2Fz
InChI InChI=1S/C27H39NO2/c1-6-7-10-19-25(20-26(29)30-27(3,4)5)28(21-23-15-11-8-12-16-23)22(2)24-17-13-9-14-18-24/h8-9,11-18,22,25H,6-7,10,19-21H2,1-5H3/t22-,25-/m1/s1
InChIKey PDOXFYCRIFSRGZ-RCZVLFRGSA-N
Mol Weight 409.6 g/mol
Molecular Formula C27H39NO2
Exact Mass 409.298079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VghxKVh9uG
Name (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]caprylic acid tert-butyl ester
Alternate Name(s) (3R)-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]octanoic acid tert-butyl ester tert-Butyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]octanoate tert-Butyl (3R)-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]octanoate
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Formula C27H39NO2
InChI InChI=1S/C27H39NO2/c1-6-7-10-19-25(20-26(29)30-27(3,4)5)28(21-23-15-11-8-12-16-23)22(2)24-17-13-9-14-18-24/h8-9,11-18,22,25H,6-7,10,19-21H2,1-5H3/t22-,25-/m1/s1
InChIKey PDOXFYCRIFSRGZ-RCZVLFRGSA-N
Molecular Weight 409.614 g/mol
SMILES [C@@](N([C@@](c1ccccc1)(C)[H])Cc1ccccc1)(CC(OC(C)(C)C)=O)(CCCCC)[H]
SPLASH splash10-052f-5912000000-c286e501cf68af099e36
Source of Spectrum KC-0-1926-26
Wiley ID 831110