| SpectraBase Spectrum ID |
CXnxzZErIOt |
| Name |
Methyl perillate |
| CAS Registry Number |
54298-90-7 |
| 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 |
180.115029753 u |
| Formula |
C11H16O2 |
| 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/C11H16O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h6,9H,1,4-5,7H2,2-3H3 |
| InChIKey |
JMMLJZJUVKEVCK-UHFFFAOYSA-N |
| Molecular Weight |
180.247 g/mol |
| Nominal Mass |
180 u |
| Number of Peaks |
111 |
| SMILES |
COC(C=1CCC(CC1)C(=C)C)=O |
| SPLASH |
splash10-014l-9400000000-155a43024d03be982041 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000956 |
