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des-4-Methyl-caryophyll-8(14)-en-5-one
SpectraBase Compound ID 6obY78SyCzZ
InChI InChI=1S/C14H22O/c1-10-7-8-11(15)5-4-6-13-12(10)9-14(13,2)3/h12-13H,1,4-9H2,2-3H3
InChIKey SVROROODYLVLSH-UHFFFAOYSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hgHXLb0XLL
Name des-4-Methyl-caryophyll-8(14)-en-5-one
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 206.167065327 u
Formula C14H22O
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C14H22O/c1-10-7-8-11(15)5-4-6-13-12(10)9-14(13,2)3/h12-13H,1,4-9H2,2-3H3
InChIKey SVROROODYLVLSH-UHFFFAOYSA-N
Molecular Weight 206.329 g/mol
Nominal Mass 206 u
Number of Peaks 63
SMILES C1(C2CC(C2CCCC(CC1)=O)(C)C)=C
SPLASH splash10-000x-9700000000-9f3646c48e17e333a440
Source Betula litwinowii buds
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI000207