| SpectraBase Spectrum ID |
Im9w05sCmTt |
| Name |
Acorenone |
| CAS Registry Number |
5956-05-8 |
| 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 |
220.182715392 u |
| Formula |
C15H24O |
| 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/C15H24O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-13H,5-6,8-9H2,1-4H3/t12-,13-,15-/m0/s1 |
| InChIKey |
HBTHUBMUAHAWBC-YDHLFZDLSA-N |
| Molecular Weight |
220.356 g/mol |
| Nominal Mass |
220 u |
| Number of Peaks |
144 |
| SMILES |
C1(C(=CC[C@]2(C1)[C@](CC[C@]2(C(C)C)[H])(C)[H])C)=O |
| SPLASH |
splash10-05ac-8900000000-94d70dab07d2520818a9 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000031 |
![(1S,4S,5S)-1-isopropyl-4,8-dimethylspiro[4,5]dec-8-ene-7-one](/api/spectrum/Im9w05sCmTt/structure.png?h=300&w=458 "(1S,4S,5S)-1-isopropyl-4,8-dimethylspiro[4,5]dec-8-ene-7-one")
