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(2-methyl-8-oxidanylidene-12-pyridin-3-yl-dodecyl) ethanoate
SpectraBase Compound ID G7ZR1hLHgD4
InChI InChI=1S/C20H31NO3/c1-17(16-24-18(2)22)9-4-3-5-12-20(23)13-7-6-10-19-11-8-14-21-15-19/h8,11,14-15,17H,3-7,9-10,12-13,16H2,1-2H3
InChIKey HMTGBNDQZFGVHU-UHFFFAOYSA-N
Mol Weight 333.47 g/mol
Molecular Formula C20H31NO3
Exact Mass 333.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID XjxlTW4DEX
Name (2-methyl-8-oxidanylidene-12-pyridin-3-yl-dodecyl) ethanoate
Alternate Name(s) (2-methyl-8-oxo-12-pyridin-3-yldodecyl) acetate Acetic acid [2-methyl-8-oxo-12-(3-pyridinyl)dodecyl] ester [2-methyl-8-oxo-12-(3-pyridyl)dodecyl] acetate
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Formula C20H31NO3
InChI InChI=1S/C20H31NO3/c1-17(16-24-18(2)22)9-4-3-5-12-20(23)13-7-6-10-19-11-8-14-21-15-19/h8,11,14-15,17H,3-7,9-10,12-13,16H2,1-2H3
InChIKey HMTGBNDQZFGVHU-UHFFFAOYSA-N
Molecular Weight 333.472 g/mol
SMILES C(=O)(OCC(CCCCCC(=O)CCCCc1cnccc1)C)C
SPLASH splash10-0a4i-2900000000-021bcce7d86b4d80d675
Source of Spectrum KC-0-2326-13
Wiley ID 784339