| SpectraBase Spectrum ID |
IviOx0LOp4i |
| Name |
Asarone |
| CAS Registry Number |
5353-15-1 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
208.109944372 u |
| Formula |
C12H16O3 |
| 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/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H3 |
| InChIKey |
AUNAUZZQBAIQFJ-UHFFFAOYSA-N |
| Molecular Weight |
208.257 g/mol |
| Nominal Mass |
208 u |
| Number of Peaks |
160 |
| SMILES |
c1(c(cc(c(c1)CC=C)OC)OC)OC |
| SPLASH |
splash10-0aou-7920000000-97ab41dbb5feb0306cdc |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000118 |
