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Liguloxide
SpectraBase Compound ID 2IxGgmx6CfR
InChI InChI=1S/C15H26O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h10-13H,5-9H2,1-4H3/t10-,11+,12+,13+,15?/m0/s1
InChIKey GXMJXGUEPXEOGR-SUMILCEPSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CSHd99lmtZY
Name Liguloxide
CAS Registry Number 21764-22-7
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 222.198365456 u
Formula C15H26O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C15H26O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h10-13H,5-9H2,1-4H3/t10-,11+,12+,13+,15?/m0/s1
InChIKey GXMJXGUEPXEOGR-SUMILCEPSA-N
Molecular Weight 222.372 g/mol
Nominal Mass 222 u
Number of Peaks 140
SMILES [C@@]12(C3([C@@](CC2)(C)[H])OC([C@](CC[C@@]1(C)[H])(C3)[H])(C)C)[H]
SPLASH splash10-0a4l-9410000000-c89d53c0741e40aac1b7
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000842