| SpectraBase Spectrum ID |
9yV6N3uiIDS |
| Name |
Hexyl benzoate |
| CAS Registry Number |
6789-88-4 |
| 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 |
206.130679818 u |
| Formula |
C13H18O2 |
| 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/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 |
| InChIKey |
UUGLJVMIFJNVFH-UHFFFAOYSA-N |
| Molecular Weight |
206.285 g/mol |
| Nominal Mass |
206 u |
| Number of Peaks |
94 |
| SMILES |
C(OCCCCCC)(=O)c1ccccc1 |
| SPLASH |
splash10-0ab9-9800000000-5ff266a8c4c4895ac3ad |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000675 |
