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.beta.-Cedren-9-one
SpectraBase Compound ID JeFJxuG317p
InChI InChI=1S/C15H22O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9,11,13H,2,5-8H2,1,3-4H3/t9-,11+,13+,15-/m1/s1
InChIKey LEOXTHXLTLNXQE-WRPZCXLFSA-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 3eyAoak7QT0
Name Cedren-9-one
CAS Registry Number 13567-51-6
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 218.167065327 u
Formula C15H22O
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/C15H22O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9,11,13H,2,5-8H2,1,3-4H3/t9-,11+,13+,15-/m1/s1
InChIKey LEOXTHXLTLNXQE-WRPZCXLFSA-N
Molecular Weight 218.340 g/mol
Nominal Mass 218 u
Number of Peaks 163
SMILES [C@@]123[C@@](CC[C@]3(C([C@@](C(C(C1)=O)=C)([H])C2)(C)C)[H])(C)[H]
SPLASH splash10-00pl-9700000000-8f8b18c4d72b99b06a93
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000306