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2-[(3E)-hexa-3,5-dienyl]malonic acid ditert-butyl ester
SpectraBase Compound ID 5APppYESP0V
InChI InChI=1S/C17H28O4/c1-8-9-10-11-12-13(14(18)20-16(2,3)4)15(19)21-17(5,6)7/h8-10,13H,1,11-12H2,2-7H3/b10-9+
InChIKey LMJRBHRWIIZRBC-MDZDMXLPSA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hTC1b2OFIp
Name 2-[(3E)-hexa-3,5-dienyl]malonic acid ditert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-8-9-10-11-12-13(14(18)20-16(2,3)4)15(19)21-17(5,6)7/h8-10,13H,1,11-12H2,2-7H3/b10-9+
InChIKey LMJRBHRWIIZRBC-MDZDMXLPSA-N
Molecular Weight 296.407 g/mol
SMILES C(C(C(OC(C)(C)C)=O)CC\C=C\C=C)(OC(C)(C)C)=O
SPLASH splash10-053r-9100000000-3de012d3d4534df0d02b
Source of Spectrum SK-25-527-0
Synonyms 2-[(3E)-hexa-3,5-dienyl]propanedioic acid ditert-butyl ester ditert-butyl 2-[(3E)-hexa-3,5-dienyl]propanedioate
Wiley ID 866523