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1-[2'-(4",4"-Dimethyl-2"-oxazolinyl)]-4,4-dimethoxycyclohexa-2,5-dienone
SpectraBase Compound ID CXCIRHbcO9Y
InChI InChI=1S/C13H17NO4/c1-12(2)8-18-11(14-12)10-7-9(15)5-6-13(10,16-3)17-4/h5-7H,8H2,1-4H3
InChIKey WNKBSQWHVYCOLZ-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Q66g5mC72i
Name 1-[2'-(4",4"-Dimethyl-2"-oxazolinyl)]-4,4-dimethoxycyclohexa-2,5-dienone
Alternate Name(s) 1-[2'-(4'',4''-Dimethyl-2''-oxazolinyl)]-4,4-dimethoxycyclohexa-2,5-dienone 3-(4,4-dimethyl-5H-oxazol-2-yl)-4,4-dimethoxy-1-cyclohexa-2,5-dienone 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethoxycyclohexa-2,5-dien-1-one 3-(4,4-dimethyl-5H-oxazol-2-yl)-4,4-dimethoxy-cyclohexa-2,5-dien-1-one 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethoxy-cyclohexa-2,5-dien-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-12(2)8-18-11(14-12)10-7-9(15)5-6-13(10,16-3)17-4/h5-7H,8H2,1-4H3
InChIKey WNKBSQWHVYCOLZ-UHFFFAOYSA-N
Molecular Weight 251.282 g/mol
SMILES C=1(C2=NC(C)(C)CO2)C(C=CC(C1)=O)(OC)OC
SPLASH splash10-00di-0090000000-191fb00aab0fb917001c
Source of Spectrum SK-2424-3006-14
Wiley ID 866431