| SpectraBase Spectrum ID |
CjaMAUwGjVb |
| Name |
Isocitronellene |
| CAS Registry Number |
85006-04-8 |
| 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 |
138.140850580 u |
| Formula |
C10H18 |
| 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/C10H18/c1-5-6-7-10(4)8-9(2)3/h5,8,10H,1,6-7H2,2-4H3 |
| InChIKey |
FYZHLRMYDRUDES-UHFFFAOYSA-N |
| Molecular Weight |
138.254 g/mol |
| Nominal Mass |
138 u |
| Number of Peaks |
76 |
| SMILES |
CC(C)=CC(C)CCC=C |
| SPLASH |
splash10-0apl-9000000000-3090ad53ce2942229628 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000746 |
