| SpectraBase Spectrum ID |
I0l6e7lx1gr |
| Name |
Dodecalactone |
| CAS Registry Number |
713-95-1 |
| 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 |
198.161979946 u |
| Formula |
C12H22O2 |
| 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/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3 |
| InChIKey |
QRPLZGZHJABGRS-UHFFFAOYSA-N |
| Molecular Weight |
198.306 g/mol |
| Nominal Mass |
198 u |
| Number of Peaks |
92 |
| SMILES |
C(CC1OC(=O)CCC1)CCCCC |
| SPLASH |
splash10-0597-9000000000-fc409e317c832701384c |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001565 |
