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(E,2R,5S)-2-butyl-4-methyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-hexenoic acid methyl ester
SpectraBase Compound ID LwxQDrURd6O
InChI InChI=1S/C17H31NO4/c1-8-9-10-14(15(19)21-7)11-12(2)13(3)18-16(20)22-17(4,5)6/h11,13-14H,8-10H2,1-7H3,(H,18,20)/b12-11+/t13-,14+/m0/s1
InChIKey HUABKJNWDKNFFL-CYUAOAIUSA-N
Mol Weight 313.44 g/mol
Molecular Formula C17H31NO4
Exact Mass 313.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dE3iM5RrED
Name (E,2R,5S)-2-butyl-4-methyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-hexenoic acid methyl ester
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Formula C17H31NO4
InChI InChI=1S/C17H31NO4/c1-8-9-10-14(15(19)21-7)11-12(2)13(3)18-16(20)22-17(4,5)6/h11,13-14H,8-10H2,1-7H3,(H,18,20)/b12-11+/t13-,14+/m0/s1
InChIKey HUABKJNWDKNFFL-CYUAOAIUSA-N
Molecular Weight 313.438 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](\C(=C\[C@](C(=O)OC)(CCCC)[H])C)(C)[H]
SPLASH splash10-07dn-0900000000-b35788786c1e756dd9af
Source of Spectrum J-59-4884-17
Synonyms (E,2R,5S)-5-(tert-butoxycarbonylamino)-2-butyl-4-methyl-hex-3-enoic acid methyl ester Methyl (E,2R,5S)-2-butyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-3-enoate Methyl (E,2R,5S)-5-(tert-butoxycarbonylamino)-2-butyl-4-methyl-hex-3-enoate
Wiley ID 1314258