| SpectraBase Spectrum ID |
5144TKW5pDw |
| Name |
Pentyl benzoate |
| CAS Registry Number |
2049-96-9 |
| 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 |
192.115029753 u |
| Formula |
C12H16O2 |
| 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/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3 |
| InChIKey |
QKNZNUNCDJZTCH-UHFFFAOYSA-N |
| Molecular Weight |
192.258 g/mol |
| Nominal Mass |
192 u |
| Number of Peaks |
100 |
| SMILES |
C(OCCCCC)(=O)c1ccccc1 |
| SPLASH |
splash10-05i0-8900000000-deea40d260e0e717fd22 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001080 |
