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Cyperotundone
SpectraBase Compound ID B3nhOT8KTkO
InChI InChI=1S/C15H22O/c1-9-5-6-11-7-12-10(2)13(16)8-15(9,12)14(11,3)4/h9,11H,5-8H2,1-4H3/t9-,11+,15-/m1/s1
InChIKey GIGKXOAUYMWORB-BPYAMOTFSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JD6pDDV9s5f
Name Cyperotundone
CAS Registry Number 3466-15-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C15H22O/c1-9-5-6-11-7-12-10(2)13(16)8-15(9,12)14(11,3)4/h9,11H,5-8H2,1-4H3/t9-,11+,15-/m1/s1
InChIKey GIGKXOAUYMWORB-BPYAMOTFSA-N
Molecular Weight 218.340 g/mol
SMILES C=1(C(C[C@]23C1C[C@@](C3(C)C)(CC[C@]2(C)[H])[H])=O)C
SPLASH splash10-014l-6920000000-af1587643bae453b6935
Source ex CYPERUS MACULATUS ROOT OIL ex BESSIERE
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887961