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Jasmonyl acetate<E->
SpectraBase Compound ID ILQ84QqxIiA
InChI InChI=1S/C13H22O2/c1-3-4-5-6-8-12-9-7-10-13(12)15-11(2)14/h5-6,12-13H,3-4,7-10H2,1-2H3/b6-5+
InChIKey FSDJGLBVHJXIOG-AATRIKPKSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7e1KhAkJKqC
Name Jasmonyl acetate, (E)-
CAS Registry Number 149982-46-7
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 210.161979946 u
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-3-4-5-6-8-12-9-7-10-13(12)15-11(2)14/h5-6,12-13H,3-4,7-10H2,1-2H3/b6-5+
InChIKey FSDJGLBVHJXIOG-AATRIKPKSA-N
Molecular Weight 210.317 g/mol
Number of Peaks 50
RI1 1451
RI2 1130
RI3 1150
RI4 1109
RI5 1436
SMILES C1(C(CCC1)C\C=C\CCC)OC(C)=O
SPLASH splash10-006x-9300000000-c1270479ef1444b0c01a
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 Cyclopentanol, 2-(2-hexen-1-yl)-, 1-acetate, (E)-
Wiley ID LM_FFNSC3_3251