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3,4-Heptadien-2-one, 7-(3-acetyloxiranyl)-6,6-dimethyl-
SpectraBase Compound ID L36twuRzGSl
InChI InChI=1S/C13H18O3/c1-9(14)6-5-7-13(3,4)8-11-12(16-11)10(2)15/h6-7,11-12H,8H2,1-4H3
InChIKey XLTPNVWBXQQKEW-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3yAO5RzgW5j
Name 3,4-Heptadien-2-one, 7-(3-acetyloxiranyl)-6,6-dimethyl-
Alternate Name(s) 7-(3-acetyl-2-oxiranyl)-6,6-dimethyl-3,4-heptadien-2-one 8,9-Epoxy-6,6-dimethyl-3,4-undecadien-2,10-dione
CAS Registry Number 80114-24-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9(14)6-5-7-13(3,4)8-11-12(16-11)10(2)15/h6-7,11-12H,8H2,1-4H3
InChIKey XLTPNVWBXQQKEW-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C1(OC1CC(C=C=CC(=O)C)(C)C)C(=O)C
SPLASH splash10-0006-9500000000-7ca41217e77f0313f22d
Source of Spectrum H-64-1774-0
Wiley ID 1222497