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(2-13C)Farnesyl acetone
SpectraBase Compound ID 623Kax6HDwk
InChI InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+/i18+1
InChIKey LTUMRKDLVGQMJU-XQTVUNGFSA-N
Mol Weight 263.43 g/mol
Molecular Formula C1713CH30O
Exact Mass 263.23302 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96LwGje6uEz
Name (2-13C)Farnesyl acetone
Appearance Colourless oil
Comments Original formula: C17[13C]H30O
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O
InChI InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+/i18+1
InChIKey LTUMRKDLVGQMJU-XQTVUNGFSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201812216
Molecular Weight 263.429 g/mol
SMILES C([13C](C)=O)C\C=C\(CC\C=C\(CCC=C(C)C)C)C
SPLASH splash10-00kf-9400000000-8cdaaf5d5253a4673aa7
Source of Spectrum ACI-58-SM52-S3
Thin-Layer Chromatography Rf = 0.51 (cyclohexane/EtOAc, 5:1)
Wiley ID 1840426