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Dimethyl buta-1,3-diyn-1,4-bisbenzoate
SpectraBase Compound ID GmmjwHaeRw2
InChI InChI=1S/C20H14O4/c1-13-11-12-18(20(23)24)16(14(13)2)9-5-3-7-15-8-4-6-10-17(15)19(21)22/h4,6,8,10-12H,1-2H3,(H,21,22)(H,23,24)
InChIKey LIJNZBSMLISQGM-UHFFFAOYSA-N
Mol Weight 318.33 g/mol
Molecular Formula C20H14O4
Exact Mass 318.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vNCKBjNvFc
Name Dimethyl buta-1,3-diyn-1,4-bisbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14O4
InChI InChI=1S/C20H14O4/c1-13-11-12-18(20(23)24)16(14(13)2)9-5-3-7-15-8-4-6-10-17(15)19(21)22/h4,6,8,10-12H,1-2H3,(H,21,22)(H,23,24)
InChIKey LIJNZBSMLISQGM-UHFFFAOYSA-N
Molecular Weight 318.328 g/mol
SMILES OC(c1c(C#CC#Cc2c(C(=O)O)cccc2)c(c(cc1)C)C)=O
SPLASH splash10-000i-0390000000-625d807c2db77edafb7c
Source of Spectrum U1-2011-241-2m
Wiley ID 1664844