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Phthalic acid, heptyl hex-2-yn-4-yl ester
SpectraBase Compound ID EyzDv4toRzb
InChI InChI=1S/C21H28O4/c1-4-7-8-9-12-16-24-20(22)18-14-10-11-15-19(18)21(23)25-17(6-3)13-5-2/h10-11,14-15,17H,4,6-9,12,16H2,1-3H3
InChIKey VMUPYDCDHLMNFE-UHFFFAOYSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nozh7xmUyi
Name Phthalic acid, heptyl hex-2-yn-4-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-4-7-8-9-12-16-24-20(22)18-14-10-11-15-19(18)21(23)25-17(6-3)13-5-2/h10-11,14-15,17H,4,6-9,12,16H2,1-3H3
InChIKey VMUPYDCDHLMNFE-UHFFFAOYSA-N
Molecular Weight 344.451 g/mol
SMILES C(c1c(cccc1)C(=O)OCCCCCCC)(OC(CC)C#CC)=O
SPLASH splash10-0002-2900000000-0d6a01d3a3c5acfced8f
Source of Spectrum NP-12-4476-0
Synonyms benzene-1,2-dicarboxylic acid O1-heptyl ester O2-hex-4-yn-3-yl ester 1-O-heptyl 2-O-hex-4-yn-3-yl benzene-1,2-dicarboxylate O2-(1-ethylbut-2-ynyl) O1-heptyl benzene-1,2-dicarboxylate O1-heptyl O2-hex-4-yn-3-yl benzene-1,2-dicarboxylate
Wiley ID 1110322