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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 AeBOfQG9I
Name Methyl 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
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
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
Nominal Mass 226 u
Number of Peaks 147
SMILES COC(C[C@]1(CCC([C@]1(CCCCC)[H])=O)[H])=O
SPLASH splash10-001i-9200000000-b83362af2dca5b40bea8
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000941