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3-ISOPROPYL-2-METHYLHEPTA-2,5-DIEN-4-ONE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-ISOPROPYL-2-METHYLHEPTA-2,5-DIEN-4-ONE
SpectraBase Compound ID LYx6b3brW4
InChI InChI=1S/C11H18O/c1-6-7-10(12)11(8(2)3)9(4)5/h6-8H,1-5H3/b7-6+
InChIKey OBKOUVQSHQKPBW-VOTSOKGWSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dd79NEVIgtp
Name (5E)-2-methyl-3-propan-2-yl-4-hepta-2,5-dienone
Alternate Name(s) (5E)-2-methyl-3-propan-2-yl-hepta-2,5-dien-4-one (5E)-3-isopropyl-2-methyl-hepta-2,5-dien-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O
InChI InChI=1S/C11H18O/c1-6-7-10(12)11(8(2)3)9(4)5/h6-8H,1-5H3/b7-6+
InChIKey OBKOUVQSHQKPBW-VOTSOKGWSA-N
Molecular Weight 166.264 g/mol
SMILES C(C(\C=C\C)=O)(=C(C)C)C(C)C
SPLASH splash10-0ldl-9800000000-a45024910a82533edcb9
Source of Spectrum K1-2001-2366-4
Wiley ID 846482