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Methyl 2-(octa-1,3-diynyl)benzoate
SpectraBase Compound ID K1laDCHPzeg
InChI InChI=1S/C16H16O2/c1-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16(17)18-2/h9-10,12-13H,3-5H2,1-2H3
InChIKey RNGSPUMZMWGXBN-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkumAbaw1gc
Name Methyl 2-(octa-1,3-diynyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O2
InChI InChI=1S/C16H16O2/c1-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16(17)18-2/h9-10,12-13H,3-5H2,1-2H3
InChIKey RNGSPUMZMWGXBN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201900288
Molecular Weight 240.302 g/mol
SMILES c1cc(c(cc1)C#CC#CCCCC)C(=O)OC
SPLASH splash10-052f-0690000000-831b710953f880807658
Source of Spectrum ASC-361-SM9-1i
Synonyms Methyl 2-(octa-1,3-diyn-1-yl)benzoate
Wiley ID 1819023