| SpectraBase Spectrum ID |
3CBpaJYBkMM |
| Name |
Ethyl 2-octynoate |
| CAS Registry Number |
10519-20-7 |
| 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 |
168.115029753 u |
| Formula |
C10H16O2 |
| 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/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-7H2,1-2H3 |
| InChIKey |
QPMDWYXUSMRVKT-UHFFFAOYSA-N |
| Molecular Weight |
168.236 g/mol |
| Nominal Mass |
168 u |
| Number of Peaks |
90 |
| SMILES |
CCCCCC#CC(OCC)=O |
| SPLASH |
splash10-06dl-9100000000-32d549675ae0c2b19258 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001590 |
