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(2E)-3-Methyl-6-oxo-2-hexenyl acetate
SpectraBase Compound ID 7PEDyHi9Vgr
InChI InChI=1S/C9H14O3/c1-8(4-3-6-10)5-7-12-9(2)11/h5-6H,3-4,7H2,1-2H3/b8-5+
InChIKey RGAIVGKJOJFCTG-VMPITWQZSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXujnaWiOo9
Name (2E)-3-Methyl-6-oxo-2-hexenyl acetate
Alternate Name(s) Acetic acid, 3-methyl-6-oxo-hex-2-enyl ester Acetic acid [(E)-3-methyl-6-oxohex-2-enyl] ester [(E)-3-methyl-6-oxohex-2-enyl] acetate [(E)-3-methyl-6-oxo-hex-2-enyl] acetate [(E)-3-methyl-6-oxidanylidene-hex-2-enyl] ethanoate
CAS Registry Number 27872-59-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-8(4-3-6-10)5-7-12-9(2)11/h5-6H,3-4,7H2,1-2H3/b8-5+
InChIKey RGAIVGKJOJFCTG-VMPITWQZSA-N
Molecular Weight 170.208 g/mol
SMILES C(=O)CC\C(=C\COC(C)=O)C
SPLASH splash10-000x-9100000000-9ae8f6c0c33f7dd58d95
Wiley ID 1484504