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Methyl dihydrojasmonate<cis->
SpectraBase Compound ID 4Nfgn8r8dEz
InChI InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKey KVWWIYGFBYDJQC-MNOVXSKESA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFUfhj6tWIq
Name Dihydrojasmonate
CAS Registry Number 39647-11-5
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 226.156894565 u
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKey KVWWIYGFBYDJQC-MNOVXSKESA-N
Molecular Weight 226.316 g/mol
Number of Peaks 50
RI1 1650
RI2 1328
RI3 1656
RI4 1618
SMILES C1[C@@]([C@@](C(C1)=O)(CCCCC)[H])(CC(OC)=O)[H]
SPLASH splash10-001i-9200000000-a2c65b0de7010de33724
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 Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1R,2S)-
Wiley ID LM_FFNSC3_1612