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(2E)-1-O-Acetyl-3,7-dimethyl-6-oxo-2-octen-1-ol
SpectraBase Compound ID Cf9Qn06ZEJ4
InChI InChI=1S/C12H20O3/c1-9(2)12(14)6-5-10(3)7-8-15-11(4)13/h7,9H,5-6,8H2,1-4H3/b10-7+
InChIKey WPSAOXZUSCGGKN-JXMROGBWSA-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 EmVISmxqK6g
Name (2E)-1-O-Acetyl-3,7-dimethyl-6-oxo-2-octen-1-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-9(2)12(14)6-5-10(3)7-8-15-11(4)13/h7,9H,5-6,8H2,1-4H3/b10-7+
InChIKey WPSAOXZUSCGGKN-JXMROGBWSA-N
Molecular Weight 212.289 g/mol
SMILES C(=O)(CC\C(=C\COC(=O)C)C)C(C)C
SPLASH splash10-014i-9000000000-edbdebc0255b3ce7854f
Source of Spectrum E1-39-1304-7
Synonyms 3,7-Dimethyl-6-oxo-2-octenyl acetate (2E)-3,7-dimethyl-6-oxo-2-octenyl acetate acetic acid[(E)-3,7-dimethyl-6-oxooct-2-enyl]ester acetic acid[(E)-6-keto-3,7-dimethyl-oct-2-enyl]ester [(E)-3,7-dimethyl-6-oxidanylidene-oct-2-enyl]ethanoate [(E)-3,7-dimethyl-6-oxo-oct-2-enyl]acetate acetic acid [(E)-3,7-dimethyl-6-oxooct-2-enyl] ester [(E)-3,7-dimethyl-6-oxooct-2-enyl] acetate [(E)-3,7-dimethyl-6-oxo-oct-2-enyl] acetate [(E)-3,7-dimethyl-6-oxidanylidene-oct-2-enyl] ethanoate
Wiley ID 1518869