| 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 |
