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.alpha.-Isobutylionone
SpectraBase Compound ID 8lmy8gv5MiL
InChI InChI=1S/C16H26O/c1-12(2)11-14-7-6-10-16(4,5)15(14)9-8-13(3)17/h7-9,12,15H,6,10-11H2,1-5H3/b9-8+
InChIKey YMSDALICTKRLBD-CMDGGOBGSA-N
Mol Weight 234.38 g/mol
Molecular Formula C16H26O
Exact Mass 234.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AD2bk8Eq1N3
Name .alpha.-Isobutylionone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O
InChI InChI=1S/C16H26O/c1-12(2)11-14-7-6-10-16(4,5)15(14)9-8-13(3)17/h7-9,12,15H,6,10-11H2,1-5H3/b9-8+
InChIKey YMSDALICTKRLBD-CMDGGOBGSA-N
Molecular Weight 234.383 g/mol
SMILES C=1(C(\C=C\C(=O)C)C(C)(C)CCC1)CC(C)C
SPLASH splash10-01yc-5910000000-7a182c6cce145ae5690e
Source of Spectrum PR-225-0-0
Synonyms (3E)-4-(2-Isobutyl-6,6-dimethyl-2-cyclohexen-1-yl)-3-buten-2-one (E)-4-(2-isobutyl-6,6-dimethyl-cyclohex-2-en-1-yl)but-3-en-2-one (E)-4-[6,6-dimethyl-2-(2-methylpropyl)-1-cyclohex-2-enyl]-3-buten-2-one (E)-4-[6,6-dimethyl-2-(2-methylpropyl)cyclohex-2-en-1-yl]but-3-en-2-one
Wiley ID 1236667