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(E,2R,5R)-2-butyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-hexenoic acid ethyl ester
SpectraBase Compound ID 3cXZYikOGbU
InChI InChI=1S/C17H31NO4/c1-7-9-10-14(15(19)21-8-2)12-11-13(3)18-16(20)22-17(4,5)6/h11-14H,7-10H2,1-6H3,(H,18,20)/b12-11+/t13-,14-/m1/s1
InChIKey SNTNOVSLNUZDQQ-MRUDHYOASA-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 7YyWWefuAd6
Name (E,2R,5R)-2-butyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-hexenoic acid ethyl ester
Alternate Name(s) (E,2R,5R)-5-(tert-butoxycarbonylamino)-2-butyl-hex-3-enoic acid ethyl ester Ethyl (E,2R,5R)-2-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-3-enoate Ethyl (E,2R,5R)-5-(tert-butoxycarbonylamino)-2-butyl-hex-3-enoate
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Formula C17H31NO4
InChI InChI=1S/C17H31NO4/c1-7-9-10-14(15(19)21-8-2)12-11-13(3)18-16(20)22-17(4,5)6/h11-14H,7-10H2,1-6H3,(H,18,20)/b12-11+/t13-,14-/m1/s1
InChIKey SNTNOVSLNUZDQQ-MRUDHYOASA-N
Molecular Weight 313.438 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](\C=C\[C@](C(=O)OCC)(CCCC)[H])(C)[H]
SPLASH splash10-0bu5-0920000000-3a59430676a7ff0d75ff
Source of Spectrum J-59-4884-17
Wiley ID 1314259