| SpectraBase Spectrum ID |
3ACAXBnXOa |
| Name |
Heptanal, dimethyl acetal |
| CAS Registry Number |
10032-05-0 |
| 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 |
160.146329882 u |
| Formula |
C9H20O2 |
| 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/C9H20O2/c1-4-5-6-7-8-9(10-2)11-3/h9H,4-8H2,1-3H3 |
| InChIKey |
BBMCNYFBAIUERL-UHFFFAOYSA-N |
| Molecular Weight |
160.257 g/mol |
| Nominal Mass |
160 u |
| Number of Peaks |
67 |
| SMILES |
C(C(OC)OC)CCCCC |
| SPLASH |
splash10-004i-9000000000-e7b40948deeaa9d517e5 |
| Source |
ex BEDOUKIAN RES. |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001672 |
