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anti/syn-1,1-Diethyl 3-Methyl 6-Methyl-2-phenylhept-5-ene-1,1,3-tricarboxylate
SpectraBase Compound ID 3hkdO0h08wg
InChI InChI=1S/C22H30O6/c1-6-27-21(24)19(22(25)28-7-2)18(16-11-9-8-10-12-16)17(20(23)26-5)14-13-15(3)4/h8-13,17-19H,6-7,14H2,1-5H3
InChIKey JBSGHSPXFDNZLD-UHFFFAOYSA-N
Mol Weight 390.48 g/mol
Molecular Formula C22H30O6
Exact Mass 390.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAEqy3T0kfO
Name anti/syn-1,1-Diethyl 3-Methyl 6-Methyl-2-phenylhept-5-ene-1,1,3-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O6
InChI InChI=1S/C22H30O6/c1-6-27-21(24)19(22(25)28-7-2)18(16-11-9-8-10-12-16)17(20(23)26-5)14-13-15(3)4/h8-13,17-19H,6-7,14H2,1-5H3
InChIKey JBSGHSPXFDNZLD-UHFFFAOYSA-N
Molecular Weight 390.476 g/mol
SMILES C(C(C(CC=C(C)C)C(=O)OC)c1ccccc1)(C(=O)OCC)C(=O)OCC
SPLASH splash10-0ue9-1952000000-996ae84ccba3714904aa
Source of Spectrum U1-2012-3467-3Ad
Wiley ID 1715546