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4-[1-(Dimethylamino)-2-heptynyl]benzoic acid ethyl ester
SpectraBase Compound ID 800Fw26IU5X
InChI InChI=1S/C18H25NO2/c1-5-7-8-9-10-17(19(3)4)15-11-13-16(14-12-15)18(20)21-6-2/h11-14,17H,5-8H2,1-4H3
InChIKey LPNVQKLZSWCKAI-UHFFFAOYSA-N
Mol Weight 287.4 g/mol
Molecular Formula C18H25NO2
Exact Mass 287.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mc8Alem19Q
Name 4-[1-(Dimethylamino)-2-heptynyl]benzoic acid ethyl ester
Alternate Name(s) Ethyl 4-[1-(dimethylamino)-2-heptynyl]benzoate
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Formula C18H25NO2
InChI InChI=1S/C18H25NO2/c1-5-7-8-9-10-17(19(3)4)15-11-13-16(14-12-15)18(20)21-6-2/h11-14,17H,5-8H2,1-4H3
InChIKey LPNVQKLZSWCKAI-UHFFFAOYSA-N
Molecular Weight 287.403 g/mol
SMILES C(#CCCCC)C(c1ccc(C(=O)OCC)cc1)N(C)C
SPLASH splash10-000i-0920000000-72792511e2d58d48a430
Source of Spectrum C5-2002-2147-4
Wiley ID 1615186