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4,4-Diethyl 1-methyl oct-1-en-6-yne-1,4,4-tricarboxylate
SpectraBase Compound ID CTNOWEEU26t
InChI InChI=1S/C16H22O6/c1-5-8-11-16(14(18)21-6-2,15(19)22-7-3)12-9-10-13(17)20-4/h9-10H,6-7,11-12H2,1-4H3/b10-9+
InChIKey XMZOKDYUKMCXLJ-MDZDMXLPSA-N
Mol Weight 310.35 g/mol
Molecular Formula C16H22O6
Exact Mass 310.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zJogvddbje
Name 4,4-Diethyl 1-methyl oct-1-en-6-yne-1,4,4-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O6
InChI InChI=1S/C16H22O6/c1-5-8-11-16(14(18)21-6-2,15(19)22-7-3)12-9-10-13(17)20-4/h9-10H,6-7,11-12H2,1-4H3/b10-9+
InChIKey XMZOKDYUKMCXLJ-MDZDMXLPSA-N
Literature Reference DOI 10.1002/adsc.201000772
Molecular Weight 310.346 g/mol
SMILES C(CC#CC)(C(OCC)=O)(C\C=C\C(OC)=O)C(OCC)=O
SPLASH splash10-014r-2890000000-21117cc6d7b7b8b003f9
Source of Spectrum ASC-353-897/SM2-1a
Synonyms (E)-4,4-diethyl 1-methyl oct-1-en-6-yne-1,4,4-tricarboxylate
Wiley ID 1764821