| SpectraBase Spectrum ID |
HdUpOolVb0M |
| Name |
Isobutyl cinnamate |
| CAS Registry Number |
122-67-8 |
| 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 |
204.115029753 u |
| Formula |
C13H16O2 |
| 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/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+ |
| InChIKey |
IQZUZPKOFSOVET-CMDGGOBGSA-N |
| Molecular Weight |
204.269 g/mol |
| Nominal Mass |
204 u |
| Number of Peaks |
87 |
| SMILES |
c1(\C=C\C(OCC(C)C)=O)ccccc1 |
| SPLASH |
splash10-0f8a-3900000000-71cfefdcd129923ec948 |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000743 |
