| SpectraBase Spectrum ID |
CMJ6mEHuB3q |
| Name |
Hexyl phenylacetate |
| CAS Registry Number |
5421-17-0 |
| 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 |
220.146329882 u |
| Formula |
C14H20O2 |
| 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/C14H20O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3 |
| InChIKey |
MTAHGWGAEGVCLS-UHFFFAOYSA-N |
| Molecular Weight |
220.312 g/mol |
| Nominal Mass |
220 u |
| Number of Peaks |
86 |
| SMILES |
c1cccc(c1)CC(=O)OCCCCCC |
| SPLASH |
splash10-0006-9100000000-fa00ab78a3d794a12781 |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000676 |
