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t-Butyl (3R)-3-N-(4'-chloro-2'-oxobutyl)amino]-(2R)-2-ethylhexanoate
SpectraBase Compound ID szg4pRFGzo
InChI InChI=1S/C16H30ClNO3/c1-6-9-13(18-14(19)10-8-11-17)12(7-2)15(20)21-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,18,19)/t12-,13-/m1/s1
InChIKey WMUAUDSIAWZNNO-CHWSQXEVSA-N
Mol Weight 319.87 g/mol
Molecular Formula C16H30ClNO3
Exact Mass 319.191422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbJf5DOmSCc
Name t-Butyl (3R)-3-N-(4'-chloro-2'-oxobutyl)amino]-(2R)-2-ethylhexanoate
Alternate Name(s) (2R,3R)-tert-butyl 3-(4-chlorobutanamido)-2-ethylhexanoate (2R,3R)-3-[(4-chloro-1-oxobutyl)amino]-2-ethylhexanoic acid tert-butyl ester tert-Butyl (2R,3R)-3-(4-chlorobutanoylamino)-2-ethylhexanoate tert-Butyl (2R,3R)-3-(4-chlorobutanoylamino)-2-ethyl-hexanoate tert-Butyl (2R,3R)-3-(4-chloranylbutanoylamino)-2-ethyl-hexanoate
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Formula C16H30ClNO3
InChI InChI=1S/C16H30ClNO3/c1-6-9-13(18-14(19)10-8-11-17)12(7-2)15(20)21-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,18,19)/t12-,13-/m1/s1
InChIKey WMUAUDSIAWZNNO-CHWSQXEVSA-N
Molecular Weight 319.873 g/mol
SMILES N([C@@]([C@](C(OC(C)(C)C)=O)(CC)[H])(CCC)[H])C(=O)CCCCl
SPLASH splash10-00di-7940000000-bca78fdc9878f5509f7c
Source of Spectrum F5-3-842-17a
Wiley ID 1732184