| SpectraBase Spectrum ID |
3eyAoak7QT0 |
| Name |
Cedren-9-one |
| CAS Registry Number |
13567-51-6 |
| 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 |
218.167065327 u |
| Formula |
C15H22O |
| 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/C15H22O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9,11,13H,2,5-8H2,1,3-4H3/t9-,11+,13+,15-/m1/s1 |
| InChIKey |
LEOXTHXLTLNXQE-WRPZCXLFSA-N |
| Molecular Weight |
218.340 g/mol |
| Nominal Mass |
218 u |
| Number of Peaks |
163 |
| SMILES |
[C@@]123[C@@](CC[C@]3(C([C@@](C(C(C1)=O)=C)([H])C2)(C)C)[H])(C)[H] |
| SPLASH |
splash10-00pl-9700000000-8f8b18c4d72b99b06a93 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000306 |
