| SpectraBase Spectrum ID |
3VLacQiNzSD |
| Name |
Isocomene |
| CAS Registry Number |
71596-72-0 |
| 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 |
204.187800773 u |
| Formula |
C15H24 |
| 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/C15H24/c1-11-6-9-14(4)12(2)10-13(3)7-5-8-15(11,13)14/h11H,2,5-10H2,1,3-4H3/t11-,13+,14+,15-/m1/s1 |
| InChIKey |
KPKLYXVMHOVJJL-UQOMUDLDSA-N |
| Molecular Weight |
204.357 g/mol |
| Nominal Mass |
204 u |
| Number of Peaks |
72 |
| SMILES |
C1(C[C@@]2(CCC[C@]22[C@]1(CC[C@]2(C)[H])C)C)=C |
| SPLASH |
splash10-0a4l-7900000000-fe5d432024348568a1da |
| Source |
ex ECHINOPOS GIGANTEUS OIL ex WEYERSTAHL |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000748 |
