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Phthalic acid, hex-2-yn-4-yl isobutyl ester
SpectraBase Compound ID GO2Te7AOCZB
InChI InChI=1S/C18H22O4/c1-5-9-14(6-2)22-18(20)16-11-8-7-10-15(16)17(19)21-12-13(3)4/h7-8,10-11,13-14H,6,12H2,1-4H3
InChIKey BQHFGBGVXZSCNM-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C18H22O4
Exact Mass 302.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qiedj5kili
Name Phthalic acid, hex-2-yn-4-yl isobutyl ester
Alternate Name(s) benzene-1,2-dicarboxylic acid O2-hex-4-yn-3-yl ester O1-(2-methylpropyl) ester 2-O-hex-4-yn-3-yl 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate O2-(1-ethylbut-2-ynyl) O1-isobutyl benzene-1,2-dicarboxylate O2-hex-4-yn-3-yl O1-(2-methylpropyl) benzene-1,2-dicarboxylate
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Formula C18H22O4
InChI InChI=1S/C18H22O4/c1-5-9-14(6-2)22-18(20)16-11-8-7-10-15(16)17(19)21-12-13(3)4/h7-8,10-11,13-14H,6,12H2,1-4H3
InChIKey BQHFGBGVXZSCNM-UHFFFAOYSA-N
Molecular Weight 302.370 g/mol
SMILES CC(COC(c1ccccc1C(OC(CC)C#CC)=O)=O)C
SPLASH splash10-0002-3900000000-83899b1f480a6016045f
Source of Spectrum NP-10-2213-0
Wiley ID 1108750