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(2S)-2-(tert-butoxycarbonylamino)-5-keto-capric acid benzyl ester
SpectraBase Compound ID 6QdaAIRl5HB
InChI InChI=1S/C22H33NO5/c1-5-6-8-13-18(24)14-15-19(23-21(26)28-22(2,3)4)20(25)27-16-17-11-9-7-10-12-17/h7,9-12,19H,5-6,8,13-16H2,1-4H3,(H,23,26)/t19-/m0/s1
InChIKey BROQJBVQLFJTRE-IBGZPJMESA-N
Mol Weight 391.5 g/mol
Molecular Formula C22H33NO5
Exact Mass 391.235873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTg1EchTzcH
Name (2S)-2-(tert-butoxycarbonylamino)-5-keto-capric acid benzyl ester
Alternate Name(s) (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxodecanoic acid (phenylmethyl) ester (phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-decanoate benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxodecanoate
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Formula C22H33NO5
InChI InChI=1S/C22H33NO5/c1-5-6-8-13-18(24)14-15-19(23-21(26)28-22(2,3)4)20(25)27-16-17-11-9-7-10-12-17/h7,9-12,19H,5-6,8,13-16H2,1-4H3,(H,23,26)/t19-/m0/s1
InChIKey BROQJBVQLFJTRE-IBGZPJMESA-N
Molecular Weight 391.508 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(OCc1ccccc1)=O)(CCC(=O)CCCCC)[H]
SPLASH splash10-0pb9-0791000000-4cc8dd95cc25c1c53957
Source of Spectrum KC-0-1907-11
Wiley ID 825710