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Phthalic acid, butyl hex-2-yn-4-yl ester
SpectraBase Compound ID ADpgtYbbtCK
InChI InChI=1S/C18H22O4/c1-4-7-13-21-17(19)15-11-8-9-12-16(15)18(20)22-14(6-3)10-5-2/h8-9,11-12,14H,4,6-7,13H2,1-3H3
InChIKey AAJJKMDXOUZACU-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 CSReyOKhdWb
Name Phthalic acid, butyl hex-2-yn-4-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O4
InChI InChI=1S/C18H22O4/c1-4-7-13-21-17(19)15-11-8-9-12-16(15)18(20)22-14(6-3)10-5-2/h8-9,11-12,14H,4,6-7,13H2,1-3H3
InChIKey AAJJKMDXOUZACU-UHFFFAOYSA-N
Molecular Weight 302.370 g/mol
SMILES C(c1c(cccc1)C(=O)OCCCC)(OC(CC)C#CC)=O
SPLASH splash10-0002-2900000000-afab12b6006771fc116c
Source of Spectrum NP-10-2212-0
Synonyms benzene-1,2-dicarboxylic acid O1-butyl ester O2-hex-4-yn-3-yl ester 1-O-butyl 2-O-hex-4-yn-3-yl benzene-1,2-dicarboxylate O1-butyl O2-(1-ethylbut-2-ynyl) benzene-1,2-dicarboxylate O1-butyl O2-hex-4-yn-3-yl benzene-1,2-dicarboxylate
Wiley ID 1108749