| SpectraBase Spectrum ID |
KV0gLcMqMUt |
| Name |
Isoeugenol acetate |
| CAS Registry Number |
97412-23-2 |
| 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 |
206.094294308 u |
| Formula |
C12H14O3 |
| 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/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4- |
| InChIKey |
IUSBVFZKQJGVEP-PLNGDYQASA-N |
| Molecular Weight |
206.241 g/mol |
| Nominal Mass |
206 u |
| Number of Peaks |
74 |
| SMILES |
COc1c(OC(C)=O)ccc(c1)\C=C/C |
| SPLASH |
splash10-03dl-7900000000-c96f79a520513665aec1 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000754 |
