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(5S)-5-(tert-butoxycarbonylamino)hex-2-ynedioic acid O6-benzyl ester O1-ethyl ester
SpectraBase Compound ID 1urslnirSvD
InChI InChI=1S/C20H25NO6/c1-5-25-17(22)13-9-12-16(21-19(24)27-20(2,3)4)18(23)26-14-15-10-7-6-8-11-15/h6-8,10-11,16H,5,12,14H2,1-4H3,(H,21,24)/t16-/m0/s1
InChIKey ARYLNAFWZWQNHD-INIZCTEOSA-N
Mol Weight 375.42 g/mol
Molecular Formula C20H25NO6
Exact Mass 375.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9faaFOKV8jj
Name (5S)-5-(tert-butoxycarbonylamino)hex-2-ynedioic acid O6-benzyl ester O1-ethyl ester
Alternate Name(s) (5S)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-hexynedioic acid O1-ethyl ester O6-(phenylmethyl) ester 6-O-benzyl 1-O-ethyl (5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-ynedioate O1-ethyl O6-(phenylmethyl) (5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-ynedioate O6-benzyl O1-ethyl (5S)-5-(tert-butoxycarbonylamino)hex-2-ynedioate
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Formula C20H25NO6
InChI InChI=1S/C20H25NO6/c1-5-25-17(22)13-9-12-16(21-19(24)27-20(2,3)4)18(23)26-14-15-10-7-6-8-11-15/h6-8,10-11,16H,5,12,14H2,1-4H3,(H,21,24)/t16-/m0/s1
InChIKey ARYLNAFWZWQNHD-INIZCTEOSA-N
Molecular Weight 375.421 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(OCc1ccccc1)=O)(CC#CC(=O)OCC)[H]
SPLASH splash10-00b9-0094000000-e5142a2f1da96e8de9c1
Source of Spectrum J-60-2214-16
Wiley ID 1357179