| SpectraBase Spectrum ID |
CcyEwZdhrpM |
| Name |
Calacorene |
| CAS Registry Number |
50277-34-4 |
| 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 |
200.156500644 u |
| Formula |
C15H20 |
| 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/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,13H,4,6,8H2,1-3H3 |
| InChIKey |
KFYISTOZYAKAPV-UHFFFAOYSA-N |
| Molecular Weight |
200.325 g/mol |
| Nominal Mass |
200 u |
| Number of Peaks |
110 |
| SMILES |
C1(CCC(c2c1ccc(c2)C)C(C)C)=C |
| SPLASH |
splash10-0a4l-0910000000-009588d3fd1c43331ca0 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000234 |
