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Phthalic acid, hex-2-yn-4-yl undecyl ester
SpectraBase Compound ID QJFzvCTovy
InChI InChI=1S/C25H36O4/c1-4-7-8-9-10-11-12-13-16-20-28-24(26)22-18-14-15-19-23(22)25(27)29-21(6-3)17-5-2/h14-15,18-19,21H,4,6-13,16,20H2,1-3H3
InChIKey HWLYZJPVJYLZSI-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jcg1CTLmXYa
Name Phthalic acid, hex-2-yn-4-yl undecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O4
InChI InChI=1S/C25H36O4/c1-4-7-8-9-10-11-12-13-16-20-28-24(26)22-18-14-15-19-23(22)25(27)29-21(6-3)17-5-2/h14-15,18-19,21H,4,6-13,16,20H2,1-3H3
InChIKey HWLYZJPVJYLZSI-UHFFFAOYSA-N
Molecular Weight 400.559 g/mol
SMILES C(CCOC(c1ccccc1C(OC(CC)C#CC)=O)=O)CCCCCCCC
SPLASH splash10-0002-4900000000-75d1253cccf85be208eb
Source of Spectrum NP-14-4831-0
Synonyms benzene-1,2-dicarboxylic acid O2-hex-4-yn-3-yl ester O1-undecyl ester 2-O-hex-4-yn-3-yl 1-O-undecyl benzene-1,2-dicarboxylate O2-(1-ethylbut-2-ynyl) O1-undecyl benzene-1,2-dicarboxylate O2-hex-4-yn-3-yl O1-undecyl benzene-1,2-dicarboxylate
Wiley ID 1111800