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5-[(4-chlorobenzyl)amino]-6-methyl-enanthic acid ethyl ester
SpectraBase Compound ID 1TFaB3WH6re
InChI InChI=1S/C17H26ClNO2/c1-4-21-17(20)7-5-6-16(13(2)3)19-12-14-8-10-15(18)11-9-14/h8-11,13,16,19H,4-7,12H2,1-3H3
InChIKey BOFVDJHLYBFMCF-UHFFFAOYSA-N
Mol Weight 311.85 g/mol
Molecular Formula C17H26ClNO2
Exact Mass 311.165207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CjZnKbhhgZ5
Name 5-[(4-chlorobenzyl)amino]-6-methyl-enanthic acid ethyl ester
Alternate Name(s) 5-[(4-chlorophenyl)methylamino]-6-methylheptanoic acid ethyl ester ethyl 5-[(4-chlorophenyl)methylamino]-6-methyl-heptanoate
CAS Registry Number 120109-93-5
Comments Less than 3 mono-isotopic peaks
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Formula C17H26ClNO2
InChI InChI=1S/C17H26ClNO2/c1-4-21-17(20)7-5-6-16(13(2)3)19-12-14-8-10-15(18)11-9-14/h8-11,13,16,19H,4-7,12H2,1-3H3
InChIKey BOFVDJHLYBFMCF-UHFFFAOYSA-N
Molecular Weight 311.853 g/mol
SMILES N(C(C(C)C)CCCC(=O)OCC)Cc1ccc(cc1)Cl
SPLASH splash10-00di-0090000000-71d464056cca0950d5ca
Source of Spectrum Y-25-1528-6
Wiley ID 1312434