| SpectraBase Spectrum ID |
JprbzSRarVt |
| Name |
Heptyl acetate |
| CAS Registry Number |
112-06-1 |
| 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 |
158.130679818 u |
| Formula |
C9H18O2 |
| 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/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3 |
| InChIKey |
ZCZSIDMEHXZRLG-UHFFFAOYSA-N |
| Molecular Weight |
158.241 g/mol |
| Nominal Mass |
158 u |
| Number of Peaks |
85 |
| SMILES |
C(CCCCC)COC(C)=O |
| SPLASH |
splash10-0006-9000000000-73ea6b1c1cb19a8bddd1 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001693 |
