| SpectraBase Spectrum ID |
7WE89mw5Cm7 |
| Name |
Papuanone |
| CAS Registry Number |
222849-22-1 |
| 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 |
280.167459249 u |
| Formula |
C16H24O4 |
| 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/C16H24O4/c1-6-7-8-9-10(17)11-12(18)15(2,3)14(20)16(4,5)13(11)19/h11H,6-9H2,1-5H3 |
| InChIKey |
IABBETLZKUEDLT-UHFFFAOYSA-N |
| Nominal Mass |
280 u |
| Number of Peaks |
211 |
| SMILES |
C1(C(C(C(C(C1=O)C(=O)CCCCC)=O)(C)C)=O)(C)C |
| SPLASH |
splash10-0006-9320000000-64db7a6a93a06aff8cc7 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001071 |
