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4,6-Heptadienoic acid, 3,3,6-trimethyl-, methyl ester
SpectraBase Compound ID BJiqcSErUOZ
InChI InChI=1S/C11H18O2/c1-9(2)6-7-11(3,4)8-10(12)13-5/h6-7H,1,8H2,2-5H3/b7-6+
InChIKey NVVOVHKFUNYYCQ-VOTSOKGWSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DctDUQ869Xz
Name 4,6-Heptadienoic acid, 3,3,6-trimethyl-, methyl ester
Alternate Name(s) Methyl (4E)-3,3,6-trimethyl-4,6-heptadienoate (4E)-3,3,6-trimethylhepta-4,6-dienoic acid methyl ester Methyl (4E)-3,3,6-trimethylhepta-4,6-dienoate
CAS Registry Number 72410-97-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-9(2)6-7-11(3,4)8-10(12)13-5/h6-7H,1,8H2,2-5H3/b7-6+
InChIKey NVVOVHKFUNYYCQ-VOTSOKGWSA-N
Molecular Weight 182.263 g/mol
SMILES CC(\C=C\C(C)=C)(C)CC(=O)OC
SPLASH splash10-0a4i-8900000000-cafe6aa0252bc6437994
Wiley ID 1487939