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4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester
SpectraBase Compound ID 2XQQGhOVI59
InChI InChI=1S/C12H20O2/c1-6-14-11(13)9-12(4,5)8-7-10(2)3/h7-8H,2,6,9H2,1,3-5H3/b8-7+
InChIKey YRZPBKYUMKVHKL-BQYQJAHWSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7VYtFIWhNk5
Name 4,6-Heptadienoic acid, 3,3,6-trimethyl-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-6-14-11(13)9-12(4,5)8-7-10(2)3/h7-8H,2,6,9H2,1,3-5H3/b8-7+
InChIKey YRZPBKYUMKVHKL-BQYQJAHWSA-N
Molecular Weight 196.290 g/mol
SMILES CC(=C)\C=C\C(C)(C)CC(=O)OCC
SPLASH splash10-0a4i-8900000000-6eb2e9e454f7a8bd74a8
Synonyms (4E)-3,3,6-trimethylhepta-4,6-dienoic acid ethyl ester Ethyl (4E)-3,3,6-trimethyl-4,6-heptadienoate Ethyl (4E)-3,3,6-trimethylhepta-4,6-dienoate
Wiley ID 1477703