| SpectraBase Spectrum ID |
Bfkep1RXwRG |
| Name |
Methyl propanoate |
| CAS Registry Number |
554-12-1 |
| 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 |
88.052429496 u |
| Formula |
C4H8O2 |
| 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/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3 |
| InChIKey |
RJUFJBKOKNCXHH-UHFFFAOYSA-N |
| Molecular Weight |
88.106 g/mol |
| Nominal Mass |
88 u |
| Number of Peaks |
47 |
| SMILES |
C(C(OC)=O)C |
| SPLASH |
splash10-0a4i-9000000000-95cf3f84e66e72d314df |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001901 |
