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(5R)-2-methylene-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]heptanedioic acid O1-ethyl ester O7-methyl ester
SpectraBase Compound ID 1tOCtP8lAMF
InChI InChI=1S/C16H27NO6/c1-7-22-14(19)11(2)8-9-12(10-13(18)21-6)17-15(20)23-16(3,4)5/h12H,2,7-10H2,1,3-6H3,(H,17,20)/t12-/m1/s1
InChIKey SEPVUPOZTKHISM-GFCCVEGCSA-N
Mol Weight 329.39 g/mol
Molecular Formula C16H27NO6
Exact Mass 329.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BFEshHvRg
Name (5R)-2-methylene-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]heptanedioic acid O1-ethyl ester O7-methyl ester
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Formula C16H27NO6
InChI InChI=1S/C16H27NO6/c1-7-22-14(19)11(2)8-9-12(10-13(18)21-6)17-15(20)23-16(3,4)5/h12H,2,7-10H2,1,3-6H3,(H,17,20)/t12-/m1/s1
InChIKey SEPVUPOZTKHISM-GFCCVEGCSA-N
Molecular Weight 329.393 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](CC(=O)OC)(CCC(C(=O)OCC)=C)[H]
SPLASH splash10-0pb9-5900000000-6b0356eed036227aa980
Source of Spectrum J-64-7584-21
Synonyms (5R)-5-(tert-butoxycarbonylamino)-2-methylene-pimelic acid O1-ethyl ester O7-methyl ester 1-O-ethyl 7-O-methyl (5R)-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]heptanedioate O1-ethyl O7-methyl (5R)-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]heptanedioate O1-ethyl O7-methyl (5R)-5-(tert-butoxycarbonylamino)-2-methylene-heptanedioate
Wiley ID 1531179