| SpectraBase Spectrum ID |
2VHYRruCRM |
| Name |
Methyl heptanoate |
| CAS Registry Number |
106-73-0 |
| 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 |
144.115029753 u |
| Formula |
C8H16O2 |
| 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/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3 |
| InChIKey |
XNCNNDVCAUWAIT-UHFFFAOYSA-N |
| Molecular Weight |
144.214 g/mol |
| Nominal Mass |
144 u |
| Number of Peaks |
86 |
| SMILES |
C(C(OC)=O)CCCCC |
| SPLASH |
splash10-006x-9000000000-cfbba90983ce1c91ce33 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001882 |
