| SpectraBase Spectrum ID |
3BQnx5UOiwY |
| Name |
Isoeugenyl phenylacetate |
| 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 |
282.125594437 u |
| Formula |
C18H18O3 |
| 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/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3+ |
| InChIKey |
YYLCMLYMJHKLEJ-XVNBXDOJSA-N |
| Molecular Weight |
282.339 g/mol |
| Nominal Mass |
282 u |
| Number of Peaks |
88 |
| SMILES |
c1(ccccc1)CC(=O)Oc1c(OC)cc(cc1)\C=C\C |
| SPLASH |
splash10-03dl-6900000000-63470135b6f234ffc4fd |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000759 |
