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alpha-trans-Bergamot-2-en-10-one
SpectraBase Compound ID Jghzlu1kHc3
InChI InChI=1S/C15H24O/c1-10(2)14(16)7-8-15(4)12-6-5-11(3)13(15)9-12/h5,10,12-13H,6-9H2,1-4H3/t12-,13-,15+/m0/s1
InChIKey HDNCWICPFYBTLZ-KCQAQPDRSA-N
Mol Weight 220.36 g/mol
Molecular Formula C15H24O
Exact Mass 220.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LaUlwXdiMgh
Name alpha-trans-Bergamot-2-en-10-one
Classification Sesquiterpenoids
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 220.182715392 u
Formula C15H24O
InChI InChI=1S/C15H24O/c1-10(2)14(16)7-8-15(4)12-6-5-11(3)13(15)9-12/h5,10,12-13H,6-9H2,1-4H3/t12-,13-,15+/m0/s1
InChIKey HDNCWICPFYBTLZ-KCQAQPDRSA-N
Molecular Weight 220.356 g/mol
Number of Peaks 15
SMILES [C@@]12([C@@]([C@@](CC=C2C)(C1)[H])(CCC(C(C)C)=O)C)[H]
SPLASH splash10-00u6-9700000000-c01fdf378f88e3026813
Source of Spectrum FF-9-181-69 (DOI: 10.1002/ffj.2730090407)
Synonyms 1-((1S,5S,6R)-2,6-dimethylbicyclo[3.1.1]hept-2-en-6-yl)-4-methylpentan-3-one
Wiley ID 1801285