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Phthalic acid, ethyl hex-2-yn-4-yl ester
SpectraBase Compound ID 378cYjIEHWF
InChI InChI=1S/C16H18O4/c1-4-9-12(5-2)20-16(18)14-11-8-7-10-13(14)15(17)19-6-3/h7-8,10-12H,5-6H2,1-3H3
InChIKey WELDJTGDKSXRLH-UHFFFAOYSA-N
Mol Weight 274.32 g/mol
Molecular Formula C16H18O4
Exact Mass 274.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EgcS7ylSeNX
Name Phthalic acid, ethyl hex-2-yn-4-yl ester
Alternate Name(s) benzene-1,2-dicarboxylic acid O1-ethyl ester O2-hex-4-yn-3-yl ester 1-O-ethyl 2-O-hex-4-yn-3-yl benzene-1,2-dicarboxylate O1-ethyl O2-(1-ethylbut-2-ynyl) benzene-1,2-dicarboxylate O1-ethyl O2-hex-4-yn-3-yl benzene-1,2-dicarboxylate
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Formula C16H18O4
InChI InChI=1S/C16H18O4/c1-4-9-12(5-2)20-16(18)14-11-8-7-10-13(14)15(17)19-6-3/h7-8,10-12H,5-6H2,1-3H3
InChIKey WELDJTGDKSXRLH-UHFFFAOYSA-N
Molecular Weight 274.316 g/mol
SMILES C(c1ccccc1C(OC(CC)C#CC)=O)(=O)OCC
SPLASH splash10-0002-2900000000-f72d3990595b04573738
Source of Spectrum NP-8-5807-0
Wiley ID 1107421