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1,6-Heptadiene-1,4,7-tricarboxylic acid, 4-acetyl-, triethyl ester, (E,E)-
SpectraBase Compound ID Hnl3pMFXmi6
InChI InChI=1S/C18H26O7/c1-5-23-15(20)10-8-12-18(14(4)19,17(22)25-7-3)13-9-11-16(21)24-6-2/h8-11H,5-7,12-13H2,1-4H3/b10-8+,11-9+
InChIKey HAKVEVJASWAQOB-GFULKKFKSA-N
Mol Weight 354.4 g/mol
Molecular Formula C18H26O7
Exact Mass 354.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WGN6zOtPZu
Name 1,6-Heptadiene-1,4,7-tricarboxylic acid, 4-acetyl-, triethyl ester, (E,E)-
Alternate Name(s) Diethyl(E,E)-5-acetyl-5-ethoxycarbonylnona-2,7-dienedioate Triethyl (1E,6E)-4-acetyl-1,6-heptadiene-1,4,7-tricarboxylate
CAS Registry Number 66874-43-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O7
InChI InChI=1S/C18H26O7/c1-5-23-15(20)10-8-12-18(14(4)19,17(22)25-7-3)13-9-11-16(21)24-6-2/h8-11H,5-7,12-13H2,1-4H3/b10-8+,11-9+
InChIKey HAKVEVJASWAQOB-GFULKKFKSA-N
Molecular Weight 354.399 g/mol
SMILES C(C(=O)OCC)(C(=O)C)(C\C=C\C(=O)OCC)C\C=C\C(=O)OCC
SPLASH splash10-002f-9501000000-2e9a011537c51cd3283e
Source of Spectrum B-31-1078-0
Wiley ID 1344442