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(2S)-2-(tert-butoxycarbonylamino)-4-(4-methoxyphenyl)butyric acid benzyl ester
SpectraBase Compound ID 3eIOSMd3tLE
InChI InChI=1S/C23H29NO5/c1-23(2,3)29-22(26)24-20(15-12-17-10-13-19(27-4)14-11-17)21(25)28-16-18-8-6-5-7-9-18/h5-11,13-14,20H,12,15-16H2,1-4H3,(H,24,26)/t20-/m0/s1
InChIKey IADSJOXPFBBSEI-FQEVSTJZSA-N
Mol Weight 399.49 g/mol
Molecular Formula C23H29NO5
Exact Mass 399.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CwKbZbFSvu
Name (2S)-2-(tert-butoxycarbonylamino)-4-(4-methoxyphenyl)butyric acid benzyl ester
Alternate Name(s) (2S)-4-(4-methoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (phenylmethyl) ester (phenylmethyl) (2S)-4-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate benzyl (2S)-4-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Comments Less than 3 mono-isotopic peaks
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Formula C23H29NO5
InChI InChI=1S/C23H29NO5/c1-23(2,3)29-22(26)24-20(15-12-17-10-13-19(27-4)14-11-17)21(25)28-16-18-8-6-5-7-9-18/h5-11,13-14,20H,12,15-16H2,1-4H3,(H,24,26)/t20-/m0/s1
InChIKey IADSJOXPFBBSEI-FQEVSTJZSA-N
Molecular Weight 399.487 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(OCc1ccccc1)=O)(CCc1ccc(cc1)OC)[H]
SPLASH splash10-0006-0009000000-d7a03d3a8b99d4a00d33
Source of Spectrum J-63-7882-7
Wiley ID 1369041