| SpectraBase Spectrum ID |
KaspIC02T1m |
| Name |
Isoamyl cinnamate |
| CAS Registry Number |
85180-66-1 |
| 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 |
218.130679818 u |
| Formula |
C14H18O2 |
| 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/C14H18O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/b9-8+ |
| InChIKey |
JFHCDEYLWGVZMX-CMDGGOBGSA-N |
| Molecular Weight |
218.296 g/mol |
| Nominal Mass |
218 u |
| Number of Peaks |
104 |
| SMILES |
c1ccc(cc1)\C=C\C(OCCC(C)C)=O |
| SPLASH |
splash10-000t-6900000000-34162c21aea3322efdf4 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000723 |
