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Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-6,6-dimethylheptanoate
SpectraBase Compound ID CHChkYh4C9X
InChI InChI=1S/C21H31NO5/c1-20(2,3)13-16(23)12-17(22-19(25)27-21(4,5)6)18(24)26-14-15-10-8-7-9-11-15/h7-11,17H,12-14H2,1-6H3,(H,22,25)/t17-/m0/s1
InChIKey AFXCQVHUKGVOBQ-KRWDZBQOSA-N
Mol Weight 377.48 g/mol
Molecular Formula C21H31NO5
Exact Mass 377.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HbXfo73qOg8
Name Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-6,6-dimethylheptanoate
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Formula C21H31NO5
InChI InChI=1S/C21H31NO5/c1-20(2,3)13-16(23)12-17(22-19(25)27-21(4,5)6)18(24)26-14-15-10-8-7-9-11-15/h7-11,17H,12-14H2,1-6H3,(H,22,25)/t17-/m0/s1
InChIKey AFXCQVHUKGVOBQ-KRWDZBQOSA-N
Molecular Weight 377.481 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(OCc1ccccc1)=O)(CC(=O)CC(C)(C)C)[H]
SPLASH splash10-00di-0019000000-b4e150d9f42a97ae7631
Source of Spectrum J-57-3402-17
Synonyms benzyl (2S)-2-[(tert-butoxycarbonyl)amino]-6,6-dimethyl-4-oxoheptanoate
Wiley ID 1358292