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Geranylacetone
SpectraBase Compound ID BsYrP6uORJm
InChI InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+
InChIKey HNZUNIKWNYHEJJ-FMIVXFBMSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59YBHb98Fhw
Name (E)-geranylacetone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+
InChIKey HNZUNIKWNYHEJJ-FMIVXFBMSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202101557
Molecular Weight 194.318 g/mol
SMILES CC(=O)CC\C=C\(CCC=C(C)C)C
SPLASH splash10-0006-9200000000-78d439b10aefbaca04b3
Source of Spectrum CCC-14-SM11-(E)-geranylacetone
Wiley ID 1871767