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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 FNGlgkstmcc
Name Cedr-8(15)-en-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
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
Number of Peaks 50
RI1 1632
SMILES C1C[C@]([C@@]23C[C@](C([C@]13[H])(C)C)(C(C(C2)=O)=C)[H])(C)[H]
SPLASH splash10-00pl-9600000000-e2e5674fadab781d79e4
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1H-3a,7-Methanoazulen-5(4H)-one, hexahydro-3,8,8-trimethyl-6-methylene-
Wiley ID LM_FFNSC3_2230