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6-Nonenoic acid, 2,7-dimethyl-3-oxo-, methyl ester, (E)-
SpectraBase Compound ID 4FhXITX6o4y
InChI InChI=1S/C12H20O3/c1-5-9(2)7-6-8-11(13)10(3)12(14)15-4/h7,10H,5-6,8H2,1-4H3/b9-7+
InChIKey CKEDSTVHRDSBQW-VQHVLOKHSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vejHij8uWk
Name 6-Nonenoic acid, 2,7-dimethyl-3-oxo-, methyl ester, (E)-
CAS Registry Number 122305-35-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-5-9(2)7-6-8-11(13)10(3)12(14)15-4/h7,10H,5-6,8H2,1-4H3/b9-7+
InChIKey CKEDSTVHRDSBQW-VQHVLOKHSA-N
Molecular Weight 212.289 g/mol
SMILES C(C(=O)OC)(C(=O)CC\C=C\(CC)C)C
SPLASH splash10-053u-9000000000-ebc837383fe09e0f0224
Source of Spectrum F-44-7598-26
Synonyms Methyl (6E)-2,7-dimethyl-3-oxo-6-nonenoate Methyl (E)-2,7-dimethyl-3-oxo-6-nonenoate
Wiley ID 1211507