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2-[3-(dimethylamino)propoxy]benzoic acid butyl ester
SpectraBase Compound ID Kcrlx2lgyXS
InChI InChI=1S/C16H25NO3/c1-4-5-12-20-16(18)14-9-6-7-10-15(14)19-13-8-11-17(2)3/h6-7,9-10H,4-5,8,11-13H2,1-3H3
InChIKey APFVLQPBZQDGGW-UHFFFAOYSA-N
Mol Weight 279.38 g/mol
Molecular Formula C16H25NO3
Exact Mass 279.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ePgxhfnYjh
Name 2-[3-(dimethylamino)propoxy]benzoic acid butyl ester
CAS Registry Number 77305-80-7
Comments Removed - expert review: contamination (acetone))
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Formula C16H25NO3
InChI InChI=1S/C16H25NO3/c1-4-5-12-20-16(18)14-9-6-7-10-15(14)19-13-8-11-17(2)3/h6-7,9-10H,4-5,8,11-13H2,1-3H3
InChIKey APFVLQPBZQDGGW-UHFFFAOYSA-N
Molecular Weight 279.380 g/mol
SMILES c1(C(=O)OCCCC)c(OCCCN(C)C)cccc1
SPLASH splash10-0a4i-9000000000-41869dcba57c0c22b1c6
Source of Spectrum J-46-2813-0
Synonyms butyl 2-[3-(dimethylamino)propoxy]benzoate
Wiley ID 1283054