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Phthalic acid, hex-2-yn-4-yl hexyl ester
SpectraBase Compound ID GdMUSImybBp
InChI InChI=1S/C20H26O4/c1-4-7-8-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16(6-3)12-5-2/h9-10,13-14,16H,4,6-8,11,15H2,1-3H3
InChIKey YTQXCUAFEBYSFX-UHFFFAOYSA-N
Mol Weight 330.42 g/mol
Molecular Formula C20H26O4
Exact Mass 330.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8n3axIXoqHY
Name Phthalic acid, hex-2-yn-4-yl hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O4
InChI InChI=1S/C20H26O4/c1-4-7-8-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16(6-3)12-5-2/h9-10,13-14,16H,4,6-8,11,15H2,1-3H3
InChIKey YTQXCUAFEBYSFX-UHFFFAOYSA-N
Molecular Weight 330.424 g/mol
SMILES C(c1c(cccc1)C(=O)OCCCCCC)(OC(CC)C#CC)=O
SPLASH splash10-0002-2900000000-ffa3aa480e64a8277d9c
Source of Spectrum NP-11-7550-0
Synonyms benzene-1,2-dicarboxylic acid O1-hexyl ester O2-hex-4-yn-3-yl ester 1-O-hexyl 2-O-hex-4-yn-3-yl benzene-1,2-dicarboxylate O2-(1-ethylbut-2-ynyl) O1-hexyl benzene-1,2-dicarboxylate O1-hexyl O2-hex-4-yn-3-yl benzene-1,2-dicarboxylate
Wiley ID 1109852