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(But-2-yne-1,4-diyl)-bis(2-acetoxybenzoate)
SpectraBase Compound ID CE9SoAhd8ho
InChI InChI=1S/C22H18O8/c1-15(23)29-19-11-5-3-9-17(19)21(25)27-13-7-8-14-28-22(26)18-10-4-6-12-20(18)30-16(2)24/h3-6,9-12H,13-14H2,1-2H3
InChIKey MEEZISYGMIWACG-UHFFFAOYSA-N
Mol Weight 410.38 g/mol
Molecular Formula C22H18O8
Exact Mass 410.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSsqsRo9wys
Name (But-2-yne-1,4-diyl)-bis(2-acetoxybenzoate)
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18O8
InChI InChI=1S/C22H18O8/c1-15(23)29-19-11-5-3-9-17(19)21(25)27-13-7-8-14-28-22(26)18-10-4-6-12-20(18)30-16(2)24/h3-6,9-12H,13-14H2,1-2H3
InChIKey MEEZISYGMIWACG-UHFFFAOYSA-N
Instrument Name Finnigan MAT 711
Ionization Type EI
Literature Reference DOI 10.1021/jm101019j
Molecular Weight 410.378 g/mol
SMILES c1cc(c(cc1)OC(=O)C)C(=O)OCC#CCOC(c1ccccc1OC(=O)C)=O
SPLASH splash10-00dr-0902000000-2a0e96ae39a98b8ef544
Source of Spectrum AF-53-SM2-Di-ASS
Wiley ID 1846309