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(3R)-3-(tert-butoxycarbonylamino)-4-(3-ketocyclohexen-1-yl)butyric acid methyl ester
SpectraBase Compound ID AuPRrxw5C45
InChI InChI=1S/C16H25NO5/c1-16(2,3)22-15(20)17-12(10-14(19)21-4)8-11-6-5-7-13(18)9-11/h9,12H,5-8,10H2,1-4H3,(H,17,20)/t12-/m1/s1
InChIKey PBPXUSGHGQJJAW-GFCCVEGCSA-N
Mol Weight 311.38 g/mol
Molecular Formula C16H25NO5
Exact Mass 311.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 363cQ1IDijv
Name (3R)-3-(tert-butoxycarbonylamino)-4-(3-ketocyclohexen-1-yl)butyric acid methyl ester
Alternate Name(s) (3R)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(3-oxo-1-cyclohexenyl)butanoic acid methyl ester Methyl (3R)-3-(tert-butoxycarbonylamino)-4-(3-oxocyclohexen-1-yl)butanoate Methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(3-oxidanylidenecyclohexen-1-yl)butanoate Methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(3-oxocyclohexen-1-yl)butanoate
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Formula C16H25NO5
InChI InChI=1S/C16H25NO5/c1-16(2,3)22-15(20)17-12(10-14(19)21-4)8-11-6-5-7-13(18)9-11/h9,12H,5-8,10H2,1-4H3,(H,17,20)/t12-/m1/s1
InChIKey PBPXUSGHGQJJAW-GFCCVEGCSA-N
Molecular Weight 311.378 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](CC(=O)OC)(CC1=CC(=O)CCC1)[H]
SPLASH splash10-114i-2900000000-2fe1429b5b2d4a504798
Source of Spectrum J-64-7584-22
Wiley ID 1531178