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Phthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl heptyl ester
SpectraBase Compound ID 3fAO5lQhONO
InChI InChI=1S/C25H34O4/c1-6-7-8-9-12-17-28-24(26)22-13-10-11-14-23(22)25(27)29-21(18-20(4)5)16-15-19(2)3/h10-11,13-14,20-21H,2,6-9,12,17-18H2,1,3-5H3
InChIKey YHOXDYOPIJAALN-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C25H34O4
Exact Mass 398.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JC4T7RYXk7k
Name Phthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl heptyl ester
Alternate Name(s) benzene-1,2-dicarboxylic acid O2-(2,7-dimethyloct-7-en-5-yn-4-yl) ester O1-heptyl ester 2-O-(2,7-dimethyloct-7-en-5-yn-4-yl) 1-O-heptyl benzene-1,2-dicarboxylate O1-heptyl O2-(1-isobutyl-4-methyl-pent-4-en-2-ynyl) benzene-1,2-dicarboxylate O2-(2,7-dimethyloct-7-en-5-yn-4-yl) O1-heptyl benzene-1,2-dicarboxylate
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Formula C25H34O4
InChI InChI=1S/C25H34O4/c1-6-7-8-9-12-17-28-24(26)22-13-10-11-14-23(22)25(27)29-21(18-20(4)5)16-15-19(2)3/h10-11,13-14,20-21H,2,6-9,12,17-18H2,1,3-5H3
InChIKey YHOXDYOPIJAALN-UHFFFAOYSA-N
Molecular Weight 398.543 g/mol
SMILES C(CCCOC(c1c(cccc1)C(OC(CC(C)C)C#CC(C)=C)=O)=O)CCC
SPLASH splash10-0002-2900000000-ec3c4361f4d3318bbe82
Source of Spectrum NP-14-4282-0
Wiley ID 1111761