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(-)-ISO-ISOPULEGOL
SpectraBase Compound ID SkHeOIMpPa
InChI InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9-,10+/m0/s1
InChIKey ZYTMANIQRDEHIO-LPEHRKFASA-N
Mol Weight 154.25 g/mol
Molecular Formula C10H18O
Exact Mass 154.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJhvgCgM2eu
Name Isopulegol
CAS Registry Number 59905-54-3
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 154.135765199 u
Formula C10H18O
InChI InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9-,10+/m0/s1
InChIKey ZYTMANIQRDEHIO-LPEHRKFASA-N
Molecular Weight 154.253 g/mol
Number of Peaks 50
RI1 1160
RI2 837
SMILES O[C@@]1(C[C@](CC[C@]1(C(C)=C)[H])(C)[H])[H]
SPLASH splash10-01c3-9200000000-e5cfa4eb5e1fd2e1ad46
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 Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5S)-
Wiley ID LM_FFNSC3_1028