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(3R)-3-(4-chlorobutanoylamino)caprylic acid tert-butyl ester
SpectraBase Compound ID FbUy8h4F3xS
InChI InChI=1S/C16H30ClNO3/c1-5-6-7-9-13(18-14(19)10-8-11-17)12-15(20)21-16(2,3)4/h13H,5-12H2,1-4H3,(H,18,19)/t13-/m1/s1
InChIKey YEECORULLGHYOH-CYBMUJFWSA-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 DjAzqGyl3NE
Name (3R)-3-(4-chlorobutanoylamino)caprylic acid tert-butyl ester
Alternate Name(s) (3R)-3-[(4-chloro-1-oxobutyl)amino]octanoic acid tert-butyl ester tert-Butyl (3R)-3-(4-chloranylbutanoylamino)octanoate
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Formula C16H30ClNO3
InChI InChI=1S/C16H30ClNO3/c1-5-6-7-9-13(18-14(19)10-8-11-17)12-15(20)21-16(2,3)4/h13H,5-12H2,1-4H3,(H,18,19)/t13-/m1/s1
InChIKey YEECORULLGHYOH-CYBMUJFWSA-N
Molecular Weight 319.873 g/mol
SMILES N(C(=O)CCCCl)[C@@](CC(OC(C)(C)C)=O)(CCCCC)[H]
SPLASH splash10-0a4r-9610000000-3b2f62f6ed59e271170d
Source of Spectrum KC-0-1926-28
Wiley ID 831109