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Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-pentanoate
SpectraBase Compound ID 77kCEGJvGT2
InChI InChI=1S/C17H23NO5/c1-12(19)10-14(18-16(21)23-17(2,3)4)15(20)22-11-13-8-6-5-7-9-13/h5-9,14H,10-11H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKey XRIGGGWREKBODJ-AWEZNQCLSA-N
Mol Weight 321.37 g/mol
Molecular Formula C17H23NO5
Exact Mass 321.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjN56uwNuwX
Name Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-pentanoate
Alternate Name(s) benzyl (2S)-2-[(tert-butoxycarbonyl)amino]-4-oxopentanoate (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxopentanoic acid (phenylmethyl) ester benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate benzyl (2S)-2-(tert-butoxycarbonylamino)-4-oxo-pentanoate (phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-pentanoate
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Formula C17H23NO5
InChI InChI=1S/C17H23NO5/c1-12(19)10-14(18-16(21)23-17(2,3)4)15(20)22-11-13-8-6-5-7-9-13/h5-9,14H,10-11H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKey XRIGGGWREKBODJ-AWEZNQCLSA-N
Molecular Weight 321.373 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(OCc1ccccc1)=O)(CC(=O)C)[H]
SPLASH splash10-01b9-0091000000-5993014721bfb9b59a52
Source of Spectrum J-57-3402-17
Wiley ID 1320897