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Pinocarvyl acetate <trans->
SpectraBase Compound ID 6lqd2enrPLA
InChI InChI=1S/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3/t9-,10+,11+/m1/s1
InChIKey UDBAGFUFASPUFS-VWYCJHECSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6ivRLJCCUt
Name Pinocarvyl acetate
CAS Registry Number 1686-15-3
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 194.130679818 u
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3/t9-,10+,11+/m1/s1
InChIKey UDBAGFUFASPUFS-VWYCJHECSA-N
Molecular Weight 194.274 g/mol
Number of Peaks 50
RI1 1296
RI2 974
SMILES C1([C@]2(C[C@@](C([C@@]1(C2)[H])=C)(OC(C)=O)[H])[H])(C)C
SPLASH splash10-0006-9200000000-481f1b15cecb93a6851b
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 Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate, (1R,3S,5R)-
Wiley ID LM_FFNSC3_1693