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Xanthorhizol
SpectraBase Compound ID Lb7ByZZZWlj
InChI InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3/t12-/m1/s1
InChIKey FKWGCEDRLNNZOZ-GFCCVEGCSA-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 JzTKlbwOjAk
Name Xanthorhizol
CAS Registry Number 30199-26-9
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/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3/t12-/m1/s1
InChIKey FKWGCEDRLNNZOZ-GFCCVEGCSA-N
Molecular Weight 218.340 g/mol
Number of Peaks 50
RI1 1750
RI2 1426
SMILES Oc1c(ccc(c1)[C@@](CCC=C(C)C)(C)[H])C
SPLASH splash10-000l-5900000000-ddb05327c9689381bdcf
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 Phenol, 5-[(1R)-1,5-dimethyl-4-hexenyl]-2-methyl-
Wiley ID LM_FFNSC3_1699