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1-(3-methyl-1,2-oxazol-5-yl)tridecan-2-one
SpectraBase Compound ID CApbiz12FxM
InChI InChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-10-11-12-16(19)14-17-13-15(2)18-20-17/h13H,3-12,14H2,1-2H3
InChIKey CGSBQJDJTZITJZ-UHFFFAOYSA-N
Mol Weight 279.42 g/mol
Molecular Formula C17H29NO2
Exact Mass 279.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HoZ37PBFMx
Name 1-(3-methyl-1,2-oxazol-5-yl)tridecan-2-one
Alternate Name(s) 1-(3-methyl-5-isoxazolyl)-2-tridecanone 1-(3-methylisoxazol-5-yl)tridecan-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C17H29NO2
InChI InChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-10-11-12-16(19)14-17-13-15(2)18-20-17/h13H,3-12,14H2,1-2H3
InChIKey CGSBQJDJTZITJZ-UHFFFAOYSA-N
Molecular Weight 279.424 g/mol
SMILES c1(onc(c1)C)CC(=O)CCCCCCCCCCC
SPLASH splash10-0002-9000000000-ebc2eb52a76d5492b0f7
Source of Spectrum H1-38-856-7
Wiley ID 756274