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Phthalic acid, butyl 2,7-dimethyloct-7-en-5-yn-4-yl ester

View entire compound with spectra: 1 NMR

Phthalic acid, butyl 2,7-dimethyloct-7-en-5-yn-4-yl ester
SpectraBase Compound ID 832zhubl3BL
InChI InChI=1S/C22H28O4/c1-6-7-14-25-21(23)19-10-8-9-11-20(19)22(24)26-18(15-17(4)5)13-12-16(2)3/h8-11,17-18H,2,6-7,14-15H2,1,3-5H3
InChIKey WMUFHQLXHGWRIR-UHFFFAOYSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EY2ypUUHqR
Name Phthalic acid, butyl 2,7-dimethyloct-7-en-5-yn-4-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 356.198759378 u
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-6-7-14-25-21(23)19-10-8-9-11-20(19)22(24)26-18(15-17(4)5)13-12-16(2)3/h8-11,17-18H,2,6-7,14-15H2,1,3-5H3
InChIKey WMUFHQLXHGWRIR-UHFFFAOYSA-N
Molecular Weight 356.462 g/mol
SMILES C(OC(C1=C(C=CC=C1)C(OC(CC(C)C)C#CC(C)=C)=O)=O)CCC