| SpectraBase Spectrum ID |
qNX9g5vCS |
| Name |
Citronellyl butanoate |
| CAS Registry Number |
141-16-2 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
226.193280075 u |
| Formula |
C14H26O2 |
| 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/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3 |
| InChIKey |
XQPZQXTWYZAXAK-UHFFFAOYSA-N |
| Molecular Weight |
226.360 g/mol |
| Nominal Mass |
226 u |
| Number of Peaks |
135 |
| SMILES |
C(C(CCC=C(C)C)C)COC(CCC)=O |
| SPLASH |
splash10-00rx-9100000000-1a18e3e0a74133c37b91 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001493 |
